2-iminohex-5-en-3-amine

C6H12N2 — CID 123342184

IUPAC2-iminohex-5-en-3-amine
SMILES[H]/N=C(\C)C(N)CC=C
InChIInChI=1S/C6H12N2/c1-3-4-6(8)5(2)7/h3,6-7H,1,4,8H2,2H3/b7-5+
InChIKeyGLUKIRYHFXJQFD-FNORWQNLSA-N
MW112.18 g/mol
LogP0.93
Rot. Bonds3

About 2-iminohex-5-en-3-amine

2-iminohex-5-en-3-amine (PubChem CID 123342184) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2-iminohex-5-en-3-amine.

Molecular Properties

Compound Name2-iminohex-5-en-3-amine
PubChem CID123342184
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2-iminohex-5-en-3-amine
SMILES[H]/N=C(\C)C(N)CC=C
InChIInChI=1S/C6H12N2/c1-3-4-6(8)5(2)7/h3,6-7H,1,4,8H2,2H3/b7-5+
InChIKeyGLUKIRYHFXJQFD-FNORWQNLSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Iminonona-1,7,8-trien-4-amine
CID 90802406
3-Iminohex-5-en-1-amine
CID 57035427
2-Iminohex-5-ene-3,3-diamine
CID 57103495
2-Iminocyclopent-3-en-1-amine
CID 90973491
5-Iminohept-6-en-2-amine
CID 123625298
1-Cycloprop-2-en-1-yl-1-iminopropan-2-amine
CID 166768396

Frequently Asked Questions

What is the IUPAC name of 2-iminohex-5-en-3-amine?
The IUPAC name of 2-iminohex-5-en-3-amine (CID 123342184) is 2-iminohex-5-en-3-amine.
What is the SMILES notation for 2-iminohex-5-en-3-amine?
The canonical SMILES for 2-iminohex-5-en-3-amine is [H]/N=C(\C)C(N)CC=C.
What is the InChIKey of 2-iminohex-5-en-3-amine?
The InChIKey is GLUKIRYHFXJQFD-FNORWQNLSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-4-6(8)5(2)7/h3,6-7H,1,4,8H2,2H3/b7-5+.
What are the key properties of 2-iminohex-5-en-3-amine?
2-iminohex-5-en-3-amine has a molecular weight of 112.18 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iminohex-5-en-3-amine is sourced from PubChem (CID 123342184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).