4-(but-3-en-2-ylideneamino)-N-propylbutan-1-amine

C11H22N2 — CID 54075907

IUPAC4-(but-3-en-2-ylideneamino)-N-propylbutan-1-amine
SMILESC=C/C(C)=N/CCCCNCCC
InChIInChI=1S/C11H22N2/c1-4-8-12-9-6-7-10-13-11(3)5-2/h5,12H,2,4,6-10H2,1,3H3/b13-11+
InChIKeyMJQMVSDUTYMALO-ACCUITESSA-N
MW182.31 g/mol
LogP2.41
Rot. Bonds8

About 4-(but-3-en-2-ylideneamino)-N-propylbutan-1-amine

4-(but-3-en-2-ylideneamino)-N-propylbutan-1-amine (PubChem CID 54075907) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 4-(but-3-en-2-ylideneamino)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-(but-3-en-2-ylideneamino)-N-propylbutan-1-amine
PubChem CID54075907
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name4-(but-3-en-2-ylideneamino)-N-propylbutan-1-amine
SMILESC=C/C(C)=N/CCCCNCCC
InChIInChI=1S/C11H22N2/c1-4-8-12-9-6-7-10-13-11(3)5-2/h5,12H,2,4,6-10H2,1,3H3/b13-11+
InChIKeyMJQMVSDUTYMALO-ACCUITESSA-N
XLogP2.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.41
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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Related Compounds

2-ethenylimino-N-propan-2-ylbut-3-en-1-amine
CID 89129347
1-N,2-N-dimethyl-3-methyliminopent-4-ene-1,2-diamine
CID 123196625
N-ethyl-3-methyliminooct-1-en-4-amine
CID 123344021
N-ethyl-2-iminobut-3-en-1-amine
CID 123563525
N-methyl-4-methyliminohex-5-en-3-amine
CID 123612125
1-(but-3-en-2-ylideneamino)-1-cyclopropyl-N-methylmethanamine
CID 123728348
(E)-N-ethyl-5-iminohex-3-en-1-amine
CID 129045484
N-(2,3-dihydropyridin-6-ylmethyl)propan-2-amine
CID 129045737
N-ethyl-2-methyliminobut-3-en-1-amine
CID 130440572
N-methyl-2-methyliminobut-3-en-1-amine
CID 130440574
N'-[2-(but-3-en-2-ylideneamino)ethyl]-N-methylethane-1,2-diamine
CID 134485867
(3Z)-N-ethyl-2-methyliminohexa-3,5-dien-1-amine
CID 142057474

Frequently Asked Questions

What is the IUPAC name of 4-(but-3-en-2-ylideneamino)-N-propylbutan-1-amine?
The IUPAC name of 4-(but-3-en-2-ylideneamino)-N-propylbutan-1-amine (CID 54075907) is 4-(but-3-en-2-ylideneamino)-N-propylbutan-1-amine.
What is the SMILES notation for 4-(but-3-en-2-ylideneamino)-N-propylbutan-1-amine?
The canonical SMILES for 4-(but-3-en-2-ylideneamino)-N-propylbutan-1-amine is C=C/C(C)=N/CCCCNCCC.
What is the InChIKey of 4-(but-3-en-2-ylideneamino)-N-propylbutan-1-amine?
The InChIKey is MJQMVSDUTYMALO-ACCUITESSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-8-12-9-6-7-10-13-11(3)5-2/h5,12H,2,4,6-10H2,1,3H3/b13-11+.
What are the key properties of 4-(but-3-en-2-ylideneamino)-N-propylbutan-1-amine?
4-(but-3-en-2-ylideneamino)-N-propylbutan-1-amine has a molecular weight of 182.31 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(but-3-en-2-ylideneamino)-N-propylbutan-1-amine is sourced from PubChem (CID 54075907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).