N-[(E)-butylideneamino]-2-methyl-N-(2-methylpropyl)propan-1-amine

C12H26N2 — CID 134719392

IUPACN-[(E)-butylideneamino]-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCCC/C=N/N(CC(C)C)CC(C)C
InChIInChI=1S/C12H26N2/c1-6-7-8-13-14(9-11(2)3)10-12(4)5/h8,11-12H,6-7,9-10H2,1-5H3/b13-8+
InChIKeyASPGBKIEGSGRKE-MDWZMJQESA-N
MW198.35 g/mol
LogP3.39
Rot. Bonds7

About N-[(E)-butylideneamino]-2-methyl-N-(2-methylpropyl)propan-1-amine

N-[(E)-butylideneamino]-2-methyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 134719392) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-[(E)-butylideneamino]-2-methyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound NameN-[(E)-butylideneamino]-2-methyl-N-(2-methylpropyl)propan-1-amine
PubChem CID134719392
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-[(E)-butylideneamino]-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCCC/C=N/N(CC(C)C)CC(C)C
InChIInChI=1S/C12H26N2/c1-6-7-8-13-14(9-11(2)3)10-12(4)5/h8,11-12H,6-7,9-10H2,1-5H3/b13-8+
InChIKeyASPGBKIEGSGRKE-MDWZMJQESA-N
XLogP3.39
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

N-[(E)-butylideneamino]-N-methylformamide
CID 90474166
(Z)-butylidenehydrazine
CID 143347514
N,N-bis(2-methylpropyl)pentan-3-amine
CID 20735455
1-[(ethylideneamino)-(2-hydroxypropyl)amino]propan-2-ol
CID 171780139
N-[(3Z,5Z)-3,5-dimethylocta-3,5-dien-2-yl]butan-1-imine
CID 155372123
7-methyl-N-(2-methylpropyl)-N-(propyldiazenyl)octan-1-amine
CID 131991421
2-methylpentane
CID 7892
2-methyl-N-[(Z)-2-methylpropylideneamino]-N-propan-2-ylpropan-1-amine
CID 5372620
N-decyl-N-(2-methylpropyl)formamide
CID 12622742
(E)-N-[2,3-dimethylbutan-2-yl(dimethyl)silyl]butan-1-imine
CID 134925367
N-amino-N-(4-methylpentylideneamino)ethanimidamide
CID 123321539
(4E,6E)-2-methyldeca-4,6-diene
CID 102247745

Frequently Asked Questions

What is the IUPAC name of N-[(E)-butylideneamino]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of N-[(E)-butylideneamino]-2-methyl-N-(2-methylpropyl)propan-1-amine (CID 134719392) is N-[(E)-butylideneamino]-2-methyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for N-[(E)-butylideneamino]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for N-[(E)-butylideneamino]-2-methyl-N-(2-methylpropyl)propan-1-amine is CCC/C=N/N(CC(C)C)CC(C)C.
What is the InChIKey of N-[(E)-butylideneamino]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is ASPGBKIEGSGRKE-MDWZMJQESA-N. The full InChI is InChI=1S/C12H26N2/c1-6-7-8-13-14(9-11(2)3)10-12(4)5/h8,11-12H,6-7,9-10H2,1-5H3/b13-8+.
What are the key properties of N-[(E)-butylideneamino]-2-methyl-N-(2-methylpropyl)propan-1-amine?
N-[(E)-butylideneamino]-2-methyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-butylideneamino]-2-methyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 134719392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).