N-[(Z)-3-methylbut-2-enylideneamino]butan-1-amine

C9H18N2 — CID 166934851

IUPACN-[(Z)-3-methylbut-2-enylideneamino]butan-1-amine
SMILESCCCCN/N=C\C=C(C)C
InChIInChI=1S/C9H18N2/c1-4-5-7-10-11-8-6-9(2)3/h6,8,10H,4-5,7H2,1-3H3/b11-8-
InChIKeyLBBXJPIGRIRBMG-FLIBITNWSA-N
MW154.26 g/mol
LogP2.33
Rot. Bonds5

About N-[(Z)-3-methylbut-2-enylideneamino]butan-1-amine

N-[(Z)-3-methylbut-2-enylideneamino]butan-1-amine (PubChem CID 166934851) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-[(Z)-3-methylbut-2-enylideneamino]butan-1-amine.

Molecular Properties

Compound NameN-[(Z)-3-methylbut-2-enylideneamino]butan-1-amine
PubChem CID166934851
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-[(Z)-3-methylbut-2-enylideneamino]butan-1-amine
SMILESCCCCN/N=C\C=C(C)C
InChIInChI=1S/C9H18N2/c1-4-5-7-10-11-8-6-9(2)3/h6,8,10H,4-5,7H2,1-3H3/b11-8-
InChIKeyLBBXJPIGRIRBMG-FLIBITNWSA-N
XLogP2.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(Z)-3-methylbut-2-enylideneamino]butan-1-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

N-[(Z)-hexadecylideneamino]hexadecan-1-amine
CID 91745707
[(E)-N-(butylamino)-C-methylcarbonimidoyl]imino-dimethylazanium
CID 90474149
N,3-dimethylbut-2-en-1-imine;propane
CID 163403492
N-[(Z)-prop-2-enylideneamino]propan-1-amine
CID 166786300
(Z)-N-(propylideneamino)octadec-9-en-1-amine
CID 173363504
N-(benzylideneamino)butan-1-amine
CID 173252252
N-butyl-3,7-dimethylocta-2,4,6-trien-1-imine
CID 72660193
N-[N-(butylamino)-C-methylcarbonimidoyl]acetamide
CID 173467948
N-[(Z)-butylideneamino]propan-1-amine
CID 5369173
hexanal;3-methylbut-2-enal
CID 23314294
N-(cyclopentylideneamino)butan-1-amine
CID 90800820
(2R)-N-butyl-6-methylhept-5-en-2-amine
CID 121451100

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-methylbut-2-enylideneamino]butan-1-amine?
The IUPAC name of N-[(Z)-3-methylbut-2-enylideneamino]butan-1-amine (CID 166934851) is N-[(Z)-3-methylbut-2-enylideneamino]butan-1-amine.
What is the SMILES notation for N-[(Z)-3-methylbut-2-enylideneamino]butan-1-amine?
The canonical SMILES for N-[(Z)-3-methylbut-2-enylideneamino]butan-1-amine is CCCCN/N=C\C=C(C)C.
What is the InChIKey of N-[(Z)-3-methylbut-2-enylideneamino]butan-1-amine?
The InChIKey is LBBXJPIGRIRBMG-FLIBITNWSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-5-7-10-11-8-6-9(2)3/h6,8,10H,4-5,7H2,1-3H3/b11-8-.
What are the key properties of N-[(Z)-3-methylbut-2-enylideneamino]butan-1-amine?
N-[(Z)-3-methylbut-2-enylideneamino]butan-1-amine has a molecular weight of 154.26 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-methylbut-2-enylideneamino]butan-1-amine is sourced from PubChem (CID 166934851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).