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

C39H87N7O3 — CID 158390100

IUPAC2-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
SMILESCC(C)C=NNC(=O)C(C)C.CC(C)C=NNC(C)C.CC(C)CCNC(=O)C(C)C.CC(C)CCNC(C)C.CC(C)CNOC(C)C
InChIInChI=1S/C9H19NO.C8H16N2O.C8H19N.C7H16N2.C7H17NO/c1-7(2)5-6-10-9(11)8(3)4;1-6(2)5-9-10-8(11)7(3)4;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;5-7,9H,1-4H3;6-8H,5H2,1-4H3
InChIKeyGWVTWZVORSHNPC-UHFFFAOYSA-N
MW702.17 g/mol
LogP8.43
Rot. Bonds18

About 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

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 (PubChem CID 158390100) has the molecular formula C39H87N7O3 and a molecular weight of 702.17 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;2-methyl-N-propan-2-yloxypropan-1-amine;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;2-methyl-N-propan-2-yloxypropan-1-amine;N-(2-methylpropylideneamino)propan-2-amine
PubChem CID158390100
Molecular FormulaC39H87N7O3
Molecular Weight702.17 g/mol
Exact Mass701.69
IUPAC Name2-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
SMILESCC(C)C=NNC(=O)C(C)C.CC(C)C=NNC(C)C.CC(C)CCNC(=O)C(C)C.CC(C)CCNC(C)C.CC(C)CNOC(C)C
InChIInChI=1S/C9H19NO.C8H16N2O.C8H19N.C7H16N2.C7H17NO/c1-7(2)5-6-10-9(11)8(3)4;1-6(2)5-9-10-8(11)7(3)4;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;5-7,9H,1-4H3;6-8H,5H2,1-4H3
InChIKeyGWVTWZVORSHNPC-UHFFFAOYSA-N
XLogP8.43
TPSA128.24 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.17
LogP ≤ 58.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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;2-methyl-N-propan-2-yloxypropan-1-imine;N-(2-methylpropylideneamino)propan-2-amine
CID 158942727
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-[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
2-(3-methylbutylamino)-N-(2-methylpropyl)propanamide
CID 43086968
2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propanamide
CID 138727288
3-chloro-2-methyl-N-(3-methylbutyl)propanamide
CID 62726569
N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 138727026
2-methyl-N-[2-[2-[2-(2-methylpropylcarbamoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 138727149
2-methyl-N-[2-(2-methylpropoxy)ethyl]propanamide
CID 115588551
2-methylpropyl N-(2-methylpropylideneamino)carbamate
CID 123852161
4-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 171803932

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;2-methyl-N-propan-2-yloxypropan-1-amine;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;2-methyl-N-propan-2-yloxypropan-1-amine;N-(2-methylpropylideneamino)propan-2-amine (CID 158390100) is 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.
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;2-methyl-N-propan-2-yloxypropan-1-amine;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;2-methyl-N-propan-2-yloxypropan-1-amine;N-(2-methylpropylideneamino)propan-2-amine is CC(C)C=NNC(=O)C(C)C.CC(C)C=NNC(C)C.CC(C)CCNC(=O)C(C)C.CC(C)CCNC(C)C.CC(C)CNOC(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;2-methyl-N-propan-2-yloxypropan-1-amine;N-(2-methylpropylideneamino)propan-2-amine?
The InChIKey is GWVTWZVORSHNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C8H16N2O.C8H19N.C7H16N2.C7H17NO/c1-7(2)5-6-10-9(11)8(3)4;1-6(2)5-9-10-8(11)7(3)4;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;5-7,9H,1-4H3;6-8H,5H2,1-4H3.
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;2-methyl-N-propan-2-yloxypropan-1-amine;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;2-methyl-N-propan-2-yloxypropan-1-amine;N-(2-methylpropylideneamino)propan-2-amine has a molecular weight of 702.17 g/mol, XLogP of 8.43, 18 rotatable bonds, 5 hydrogen bond donors, and 8 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;2-methyl-N-propan-2-yloxypropan-1-amine;N-(2-methylpropylideneamino)propan-2-amine is sourced from PubChem (CID 158390100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).