(Z)-2-iminohept-3-en-1-amine

C7H14N2 — CID 91316058

IUPAC(Z)-2-iminohept-3-en-1-amine
SMILES[H]/N=C(/C=C\CCC)CN
InChIInChI=1S/C7H14N2/c1-2-3-4-5-7(9)6-8/h4-5,9H,2-3,6,8H2,1H3/b5-4-,9-7-
InChIKeyJFWGTBDGUSPOSZ-PHSHQRSZSA-N
MW126.20 g/mol
LogP1.32
Rot. Bonds4

About (Z)-2-iminohept-3-en-1-amine

(Z)-2-iminohept-3-en-1-amine (PubChem CID 91316058) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (Z)-2-iminohept-3-en-1-amine.

Molecular Properties

Compound Name(Z)-2-iminohept-3-en-1-amine
PubChem CID91316058
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(Z)-2-iminohept-3-en-1-amine
SMILES[H]/N=C(/C=C\CCC)CN
InChIInChI=1S/C7H14N2/c1-2-3-4-5-7(9)6-8/h4-5,9H,2-3,6,8H2,1H3/b5-4-,9-7-
InChIKeyJFWGTBDGUSPOSZ-PHSHQRSZSA-N
XLogP1.32
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Iminocyclohexa-2,5-dien-1-amine
CID 140108
(Z)-2-ethylimino-5-fluorohex-3-en-1-amine
CID 143075712
(Z)-pent-2-ene-1,4-diimine
CID 59089718
(E)-hex-4-en-3-imine
CID 60088695
2H-pyrrol-5-ylmethanamine
CID 67991228
2,3-Dihydropyridin-6-ylmethanamine
CID 70426662
Hex-4-en-3-imine
CID 72645017
(Z)-hex-2-ene-1,4-diimine
CID 88171021
(Z)-2-iminopent-3-ene-1,4-diamine
CID 89129435
(Z)-4-N-methylpent-2-ene-1,4-diimine
CID 90308470
(Z)-pent-3-en-2-imine
CID 90707502
(4Z)-hepta-1,4-dien-3-imine
CID 90857061

Frequently Asked Questions

What is the IUPAC name of (Z)-2-iminohept-3-en-1-amine?
The IUPAC name of (Z)-2-iminohept-3-en-1-amine (CID 91316058) is (Z)-2-iminohept-3-en-1-amine.
What is the SMILES notation for (Z)-2-iminohept-3-en-1-amine?
The canonical SMILES for (Z)-2-iminohept-3-en-1-amine is [H]/N=C(/C=C\CCC)CN.
What is the InChIKey of (Z)-2-iminohept-3-en-1-amine?
The InChIKey is JFWGTBDGUSPOSZ-PHSHQRSZSA-N. The full InChI is InChI=1S/C7H14N2/c1-2-3-4-5-7(9)6-8/h4-5,9H,2-3,6,8H2,1H3/b5-4-,9-7-.
What are the key properties of (Z)-2-iminohept-3-en-1-amine?
(Z)-2-iminohept-3-en-1-amine has a molecular weight of 126.20 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-iminohept-3-en-1-amine is sourced from PubChem (CID 91316058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).