(4Z)-4-(2-iminoethyl)hepta-4,6-dien-1-amine

C9H16N2 — CID 123670318

IUPAC(4Z)-4-(2-iminoethyl)hepta-4,6-dien-1-amine
SMILES[H]/N=C/C/C(=C\C=C)CCCN
InChIInChI=1S/C9H16N2/c1-2-4-9(6-8-11)5-3-7-10/h2,4,8,11H,1,3,5-7,10H2/b9-4-,11-8+
InChIKeyNIFLANIAZKRLHD-GVXASNAJSA-N
MW152.24 g/mol
LogP1.88
Rot. Bonds6

About (4Z)-4-(2-iminoethyl)hepta-4,6-dien-1-amine

(4Z)-4-(2-iminoethyl)hepta-4,6-dien-1-amine (PubChem CID 123670318) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (4Z)-4-(2-iminoethyl)hepta-4,6-dien-1-amine.

Molecular Properties

Compound Name(4Z)-4-(2-iminoethyl)hepta-4,6-dien-1-amine
PubChem CID123670318
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(4Z)-4-(2-iminoethyl)hepta-4,6-dien-1-amine
SMILES[H]/N=C/C/C(=C\C=C)CCCN
InChIInChI=1S/C9H16N2/c1-2-4-9(6-8-11)5-3-7-10/h2,4,8,11H,1,3,5-7,10H2/b9-4-,11-8+
InChIKeyNIFLANIAZKRLHD-GVXASNAJSA-N
XLogP1.88
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,5Z,8E)-8-fluoro-2-methanimidoyl-7-methyl-4-methylidenedeca-5,8-dien-1-amine
CID 163413862
1-Cyclohexa-1,3-dien-1-yl-2-iminoethanamine
CID 89154070
(2Z,6Z)-3,6-bis[(Z)-prop-1-enyl]octa-2,6-diene-1,8-diimine
CID 89805399
3-But-2-enyl-4-methylhepta-3,5,6-trien-1-imine
CID 90849503
25-Iminopentacosa-20,22-dien-1-amine
CID 90888003
(5Z,7E)-3-ethenylidene-7,8-dimethyldeca-5,7,9-trien-1-imine
CID 126592731
(Z)-6-methyl-4-methylidene-7-methyliminohept-5-en-1-amine
CID 134485431
ethane;(3Z)-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;pentan-1-amine
CID 143221976
(3Z,5Z)-4-but-1-en-2-ylhepta-3,5-dien-1-imine
CID 144203901
(Z)-3-ethenyl-5-iminopent-3-en-1-amine
CID 145570675
5-Ethenyl-4-methanimidoylhepta-4,6-dien-1-amine
CID 166876717
(E)-10-iminodec-7-en-1-amine
CID 170151343

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(2-iminoethyl)hepta-4,6-dien-1-amine?
The IUPAC name of (4Z)-4-(2-iminoethyl)hepta-4,6-dien-1-amine (CID 123670318) is (4Z)-4-(2-iminoethyl)hepta-4,6-dien-1-amine.
What is the SMILES notation for (4Z)-4-(2-iminoethyl)hepta-4,6-dien-1-amine?
The canonical SMILES for (4Z)-4-(2-iminoethyl)hepta-4,6-dien-1-amine is [H]/N=C/C/C(=C\C=C)CCCN.
What is the InChIKey of (4Z)-4-(2-iminoethyl)hepta-4,6-dien-1-amine?
The InChIKey is NIFLANIAZKRLHD-GVXASNAJSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-4-9(6-8-11)5-3-7-10/h2,4,8,11H,1,3,5-7,10H2/b9-4-,11-8+.
What are the key properties of (4Z)-4-(2-iminoethyl)hepta-4,6-dien-1-amine?
(4Z)-4-(2-iminoethyl)hepta-4,6-dien-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(2-iminoethyl)hepta-4,6-dien-1-amine is sourced from PubChem (CID 123670318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).