(Z)-5-iminohex-3-en-2-amine

C6H12N2 — CID 135245925

IUPAC(Z)-5-iminohex-3-en-2-amine
SMILES[H]/N=C(C)/C=C\C(C)N
InChIInChI=1S/C6H12N2/c1-5(7)3-4-6(2)8/h3-5,8H,7H2,1-2H3/b4-3-,8-6+
InChIKeyMBTOOFBYWLINTO-OONGGIDMSA-N
MW112.18 g/mol
LogP0.93
Rot. Bonds2

About (Z)-5-iminohex-3-en-2-amine

(Z)-5-iminohex-3-en-2-amine (PubChem CID 135245925) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (Z)-5-iminohex-3-en-2-amine.

Molecular Properties

Compound Name(Z)-5-iminohex-3-en-2-amine
PubChem CID135245925
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(Z)-5-iminohex-3-en-2-amine
SMILES[H]/N=C(C)/C=C\C(C)N
InChIInChI=1S/C6H12N2/c1-5(7)3-4-6(2)8/h3-5,8H,7H2,1-2H3/b4-3-,8-6+
InChIKeyMBTOOFBYWLINTO-OONGGIDMSA-N
XLogP0.93
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.93
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)-5-iminohex-3-en-2-amine?
The IUPAC name of (Z)-5-iminohex-3-en-2-amine (CID 135245925) is (Z)-5-iminohex-3-en-2-amine.
What is the SMILES notation for (Z)-5-iminohex-3-en-2-amine?
The canonical SMILES for (Z)-5-iminohex-3-en-2-amine is [H]/N=C(C)/C=C\C(C)N.
What is the InChIKey of (Z)-5-iminohex-3-en-2-amine?
The InChIKey is MBTOOFBYWLINTO-OONGGIDMSA-N. The full InChI is InChI=1S/C6H12N2/c1-5(7)3-4-6(2)8/h3-5,8H,7H2,1-2H3/b4-3-,8-6+.
What are the key properties of (Z)-5-iminohex-3-en-2-amine?
(Z)-5-iminohex-3-en-2-amine has a molecular weight of 112.18 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-iminohex-3-en-2-amine is sourced from PubChem (CID 135245925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).