4-[[(Z)-but-2-enylidene]amino]-3-methyl-N-propylbutan-1-amine

C12H24N2 — CID 134405971

IUPAC4-[[(Z)-but-2-enylidene]amino]-3-methyl-N-propylbutan-1-amine
SMILESC/C=C\C=N\CC(C)CCNCCC
InChIInChI=1S/C12H24N2/c1-4-6-9-14-11-12(3)7-10-13-8-5-2/h4,6,9,12-13H,5,7-8,10-11H2,1-3H3/b6-4-,14-9+
InChIKeyWZTNCDIBQNSVCD-AQSUQLKASA-N
MW196.34 g/mol
LogP2.66
Rot. Bonds8

About 4-[[(Z)-but-2-enylidene]amino]-3-methyl-N-propylbutan-1-amine

4-[[(Z)-but-2-enylidene]amino]-3-methyl-N-propylbutan-1-amine (PubChem CID 134405971) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 4-[[(Z)-but-2-enylidene]amino]-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-[[(Z)-but-2-enylidene]amino]-3-methyl-N-propylbutan-1-amine
PubChem CID134405971
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name4-[[(Z)-but-2-enylidene]amino]-3-methyl-N-propylbutan-1-amine
SMILESC/C=C\C=N\CC(C)CCNCCC
InChIInChI=1S/C12H24N2/c1-4-6-9-14-11-12(3)7-10-13-8-5-2/h4,6,9,12-13H,5,7-8,10-11H2,1-3H3/b6-4-,14-9+
InChIKeyWZTNCDIBQNSVCD-AQSUQLKASA-N
XLogP2.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.66
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[(Z)-but-2-enylidene]amino]-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 4-[[(Z)-but-2-enylidene]amino]-3-methyl-N-propylbutan-1-amine (CID 134405971) is 4-[[(Z)-but-2-enylidene]amino]-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 4-[[(Z)-but-2-enylidene]amino]-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 4-[[(Z)-but-2-enylidene]amino]-3-methyl-N-propylbutan-1-amine is C/C=C\C=N\CC(C)CCNCCC.
What is the InChIKey of 4-[[(Z)-but-2-enylidene]amino]-3-methyl-N-propylbutan-1-amine?
The InChIKey is WZTNCDIBQNSVCD-AQSUQLKASA-N. The full InChI is InChI=1S/C12H24N2/c1-4-6-9-14-11-12(3)7-10-13-8-5-2/h4,6,9,12-13H,5,7-8,10-11H2,1-3H3/b6-4-,14-9+.
What are the key properties of 4-[[(Z)-but-2-enylidene]amino]-3-methyl-N-propylbutan-1-amine?
4-[[(Z)-but-2-enylidene]amino]-3-methyl-N-propylbutan-1-amine has a molecular weight of 196.34 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(Z)-but-2-enylidene]amino]-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 134405971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).