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

C6H12N2 — CID 143008246

IUPAC(Z)-1-iminohex-2-en-3-amine
SMILES[H]/N=C/C=C(\N)CCC
InChIInChI=1S/C6H12N2/c1-2-3-6(8)4-5-7/h4-5,7H,2-3,8H2,1H3/b6-4-,7-5+
InChIKeyIRLQENAUTJJTQS-XGXWUAJZSA-N
MW112.18 g/mol
LogP1.28
Rot. Bonds3

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

(Z)-1-iminohex-2-en-3-amine (PubChem CID 143008246) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (Z)-1-iminohex-2-en-3-amine.

Molecular Properties

Compound Name(Z)-1-iminohex-2-en-3-amine
PubChem CID143008246
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(Z)-1-iminohex-2-en-3-amine
SMILES[H]/N=C/C=C(\N)CCC
InChIInChI=1S/C6H12N2/c1-2-3-6(8)4-5-7/h4-5,7H,2-3,8H2,1H3/b6-4-,7-5+
InChIKeyIRLQENAUTJJTQS-XGXWUAJZSA-N
XLogP1.28
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-iminohex-2-en-3-amine?
The IUPAC name of (Z)-1-iminohex-2-en-3-amine (CID 143008246) is (Z)-1-iminohex-2-en-3-amine.
What is the SMILES notation for (Z)-1-iminohex-2-en-3-amine?
The canonical SMILES for (Z)-1-iminohex-2-en-3-amine is [H]/N=C/C=C(\N)CCC.
What is the InChIKey of (Z)-1-iminohex-2-en-3-amine?
The InChIKey is IRLQENAUTJJTQS-XGXWUAJZSA-N. The full InChI is InChI=1S/C6H12N2/c1-2-3-6(8)4-5-7/h4-5,7H,2-3,8H2,1H3/b6-4-,7-5+.
What are the key properties of (Z)-1-iminohex-2-en-3-amine?
(Z)-1-iminohex-2-en-3-amine has a molecular weight of 112.18 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-iminohex-2-en-3-amine is sourced from PubChem (CID 143008246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).