2-methyl-N-(3-methylbutyl)propanamide;2-methyl-N-(2-methylpropylideneamino)propanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-propan-2-yloxybutane;2-methyl-N-propan-2-yloxypropan-1-imine;N-(2-methylpropylideneamino)propan-2-amine

C47H103N7O4 — CID 158942727

IUPAC2-methyl-N-(3-methylbutyl)propanamide;2-methyl-N-(2-methylpropylideneamino)propanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-propan-2-yloxybutane;2-methyl-N-propan-2-yloxypropan-1-imine;N-(2-methylpropylideneamino)propan-2-amine
SMILESCC(C)C=NNC(=O)C(C)C.CC(C)C=NNC(C)C.CC(C)C=NOC(C)C.CC(C)CCNC(=O)C(C)C.CC(C)CCNC(C)C.CC(C)CCOC(C)C
InChIInChI=1S/C9H19NO.C8H16N2O.C8H19N.C8H18O.C7H16N2.C7H15NO/c1-7(2)5-6-10-9(11)8(3)4;1-6(2)5-9-10-8(11)7(3)4;2*1-7(2)5-6-9-8(3)4;2*1-6(2)5-8-9-7(3)4/h7-8H,5-6H2,1-4H3,(H,10,11);5-7H,1-4H3,(H,10,11);7-9H,5-6H2,1-4H3;7-8H,5-6H2,1-4H3;5-7,9H,1-4H3;5-7H,1-4H3
InChIKeyJKLJZIHPKHYDSW-UHFFFAOYSA-N
MW830.39 g/mol
LogP11.37
Rot. Bonds21

About 2-methyl-N-(3-methylbutyl)propanamide;2-methyl-N-(2-methylpropylideneamino)propanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-propan-2-yloxybutane;2-methyl-N-propan-2-yloxypropan-1-imine;N-(2-methylpropylideneamino)propan-2-amine

2-methyl-N-(3-methylbutyl)propanamide;2-methyl-N-(2-methylpropylideneamino)propanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-propan-2-yloxybutane;2-methyl-N-propan-2-yloxypropan-1-imine;N-(2-methylpropylideneamino)propan-2-amine (PubChem CID 158942727) has the molecular formula C47H103N7O4 and a molecular weight of 830.39 g/mol. Its IUPAC name is 2-methyl-N-(3-methylbutyl)propanamide;2-methyl-N-(2-methylpropylideneamino)propanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-propan-2-yloxybutane;2-methyl-N-propan-2-yloxypropan-1-imine;N-(2-methylpropylideneamino)propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(3-methylbutyl)propanamide;2-methyl-N-(2-methylpropylideneamino)propanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-propan-2-yloxybutane;2-methyl-N-propan-2-yloxypropan-1-imine;N-(2-methylpropylideneamino)propan-2-amine
PubChem CID158942727
Molecular FormulaC47H103N7O4
Molecular Weight830.39 g/mol
Exact Mass829.81
IUPAC Name2-methyl-N-(3-methylbutyl)propanamide;2-methyl-N-(2-methylpropylideneamino)propanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-propan-2-yloxybutane;2-methyl-N-propan-2-yloxypropan-1-imine;N-(2-methylpropylideneamino)propan-2-amine
SMILESCC(C)C=NNC(=O)C(C)C.CC(C)C=NNC(C)C.CC(C)C=NOC(C)C.CC(C)CCNC(=O)C(C)C.CC(C)CCNC(C)C.CC(C)CCOC(C)C
InChIInChI=1S/C9H19NO.C8H16N2O.C8H19N.C8H18O.C7H16N2.C7H15NO/c1-7(2)5-6-10-9(11)8(3)4;1-6(2)5-9-10-8(11)7(3)4;2*1-7(2)5-6-9-8(3)4;2*1-6(2)5-8-9-7(3)4/h7-8H,5-6H2,1-4H3,(H,10,11);5-7H,1-4H3,(H,10,11);7-9H,5-6H2,1-4H3;7-8H,5-6H2,1-4H3;5-7,9H,1-4H3;5-7H,1-4H3
InChIKeyJKLJZIHPKHYDSW-UHFFFAOYSA-N
XLogP11.37
TPSA137.80 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.39
LogP ≤ 511.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(3-methylbutyl)propanamide;2-methyl-N-(2-methylpropylideneamino)propanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-propan-2-yloxybutane;(E)-2-methyl-N-propan-2-yloxypropan-1-imine;N-(2-methylpropylideneamino)propan-2-amine
CID 172942706
2-methyl-N-(3-methylbutyl)propanamide;2-methyl-N-(2-methylpropylideneamino)propanamide;3-methyl-N-propan-2-ylbutan-1-amine;2-methyl-N-propan-2-yloxypropan-1-amine;N-(2-methylpropylideneamino)propan-2-amine
CID 158390100
3-methyl-1-propan-2-yloxybutane;4-methyl-N-propan-2-ylpentan-1-amine
CID 157036014
N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)butanediamide
CID 5167473
2-methyl-N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727258
2-methyl-N-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727326
N-(3-methylbutyl)-3-(4-propan-2-yloxybutoxy)propanamide
CID 134351969
7-(2-methylpropanoylamino)-3-(propan-2-ylamino)-N-(6-propan-2-yloxyhexyl)heptanamide
CID 170416243
3-(propan-2-ylamino)-N-(2-propan-2-yloxyethyl)propanamide
CID 104761146
N-(2-propan-2-yloxyethyl)propan-2-amine
CID 21034307
8-methyl-N-(3-propan-2-yloxypropyl)nonanamide
CID 147959666
2-methylpropyl N-(2-methylpropylideneamino)carbamate
CID 123852161

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylbutyl)propanamide;2-methyl-N-(2-methylpropylideneamino)propanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-propan-2-yloxybutane;2-methyl-N-propan-2-yloxypropan-1-imine;N-(2-methylpropylideneamino)propan-2-amine?
The IUPAC name of 2-methyl-N-(3-methylbutyl)propanamide;2-methyl-N-(2-methylpropylideneamino)propanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-propan-2-yloxybutane;2-methyl-N-propan-2-yloxypropan-1-imine;N-(2-methylpropylideneamino)propan-2-amine (CID 158942727) is 2-methyl-N-(3-methylbutyl)propanamide;2-methyl-N-(2-methylpropylideneamino)propanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-propan-2-yloxybutane;2-methyl-N-propan-2-yloxypropan-1-imine;N-(2-methylpropylideneamino)propan-2-amine.
What is the SMILES notation for 2-methyl-N-(3-methylbutyl)propanamide;2-methyl-N-(2-methylpropylideneamino)propanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-propan-2-yloxybutane;2-methyl-N-propan-2-yloxypropan-1-imine;N-(2-methylpropylideneamino)propan-2-amine?
The canonical SMILES for 2-methyl-N-(3-methylbutyl)propanamide;2-methyl-N-(2-methylpropylideneamino)propanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-propan-2-yloxybutane;2-methyl-N-propan-2-yloxypropan-1-imine;N-(2-methylpropylideneamino)propan-2-amine is CC(C)C=NNC(=O)C(C)C.CC(C)C=NNC(C)C.CC(C)C=NOC(C)C.CC(C)CCNC(=O)C(C)C.CC(C)CCNC(C)C.CC(C)CCOC(C)C.
What is the InChIKey of 2-methyl-N-(3-methylbutyl)propanamide;2-methyl-N-(2-methylpropylideneamino)propanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-propan-2-yloxybutane;2-methyl-N-propan-2-yloxypropan-1-imine;N-(2-methylpropylideneamino)propan-2-amine?
The InChIKey is JKLJZIHPKHYDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C8H16N2O.C8H19N.C8H18O.C7H16N2.C7H15NO/c1-7(2)5-6-10-9(11)8(3)4;1-6(2)5-9-10-8(11)7(3)4;2*1-7(2)5-6-9-8(3)4;2*1-6(2)5-8-9-7(3)4/h7-8H,5-6H2,1-4H3,(H,10,11);5-7H,1-4H3,(H,10,11);7-9H,5-6H2,1-4H3;7-8H,5-6H2,1-4H3;5-7,9H,1-4H3;5-7H,1-4H3.
What are the key properties of 2-methyl-N-(3-methylbutyl)propanamide;2-methyl-N-(2-methylpropylideneamino)propanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-propan-2-yloxybutane;2-methyl-N-propan-2-yloxypropan-1-imine;N-(2-methylpropylideneamino)propan-2-amine?
2-methyl-N-(3-methylbutyl)propanamide;2-methyl-N-(2-methylpropylideneamino)propanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-propan-2-yloxybutane;2-methyl-N-propan-2-yloxypropan-1-imine;N-(2-methylpropylideneamino)propan-2-amine has a molecular weight of 830.39 g/mol, XLogP of 11.37, 21 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylbutyl)propanamide;2-methyl-N-(2-methylpropylideneamino)propanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-propan-2-yloxybutane;2-methyl-N-propan-2-yloxypropan-1-imine;N-(2-methylpropylideneamino)propan-2-amine is sourced from PubChem (CID 158942727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).