(Z)-3-(2-methylheptan-4-ylimino)prop-1-en-1-amine

C11H22N2 — CID 177155781

IUPAC(Z)-3-(2-methylheptan-4-ylimino)prop-1-en-1-amine
SMILESCCCC(CC(C)C)/N=C/C=C\N
InChIInChI=1S/C11H22N2/c1-4-6-11(9-10(2)3)13-8-5-7-12/h5,7-8,10-11H,4,6,9,12H2,1-3H3/b7-5-,13-8+
InChIKeySETXSLDJOZFDLQ-IPYMFYIGSA-N
MW182.31 g/mol
LogP2.74
Rot. Bonds6

About (Z)-3-(2-methylheptan-4-ylimino)prop-1-en-1-amine

(Z)-3-(2-methylheptan-4-ylimino)prop-1-en-1-amine (PubChem CID 177155781) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (Z)-3-(2-methylheptan-4-ylimino)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(2-methylheptan-4-ylimino)prop-1-en-1-amine
PubChem CID177155781
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(Z)-3-(2-methylheptan-4-ylimino)prop-1-en-1-amine
SMILESCCCC(CC(C)C)/N=C/C=C\N
InChIInChI=1S/C11H22N2/c1-4-6-11(9-10(2)3)13-8-5-7-12/h5,7-8,10-11H,4,6,9,12H2,1-3H3/b7-5-,13-8+
InChIKeySETXSLDJOZFDLQ-IPYMFYIGSA-N
XLogP2.74
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(4,4-dimethylhexan-3-ylimino)prop-1-en-1-amine
CID 126672149
(Z)-3-(2,2-dimethylpentan-3-ylimino)prop-1-en-1-amine
CID 134314093
(Z)-3-pentan-2-yliminoprop-1-en-1-amine
CID 146659680
3-(3-Methylbutan-2-ylimino)prop-1-en-1-amine
CID 173710052
3-(3-Methylbutylimino)prop-1-en-1-amine
CID 173760823
3-[(2R)-3-methylbutan-2-yl]iminoprop-1-en-1-amine
CID 173762318
3-Heptan-2-yliminoprop-1-en-1-amine
CID 173790875
3-(2-Methylpentan-3-ylimino)prop-1-en-1-amine
CID 174034615
(Z)-3-[4-methyl-2-(2-methylpropyl)pentyl]iminoprop-1-en-1-amine
CID 178004372
(Z)-3-(5-methylhexan-3-ylimino)prop-1-en-1-amine
CID 178004465

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-methylheptan-4-ylimino)prop-1-en-1-amine?
The IUPAC name of (Z)-3-(2-methylheptan-4-ylimino)prop-1-en-1-amine (CID 177155781) is (Z)-3-(2-methylheptan-4-ylimino)prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-(2-methylheptan-4-ylimino)prop-1-en-1-amine?
The canonical SMILES for (Z)-3-(2-methylheptan-4-ylimino)prop-1-en-1-amine is CCCC(CC(C)C)/N=C/C=C\N.
What is the InChIKey of (Z)-3-(2-methylheptan-4-ylimino)prop-1-en-1-amine?
The InChIKey is SETXSLDJOZFDLQ-IPYMFYIGSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-6-11(9-10(2)3)13-8-5-7-12/h5,7-8,10-11H,4,6,9,12H2,1-3H3/b7-5-,13-8+.
What are the key properties of (Z)-3-(2-methylheptan-4-ylimino)prop-1-en-1-amine?
(Z)-3-(2-methylheptan-4-ylimino)prop-1-en-1-amine has a molecular weight of 182.31 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-methylheptan-4-ylimino)prop-1-en-1-amine is sourced from PubChem (CID 177155781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).