4-iminohex-2-en-2-amine

C6H12N2 — CID 147619512

IUPAC4-iminohex-2-en-2-amine
SMILES[H]/N=C(/C=C(C)N)CC
InChIInChI=1S/C6H12N2/c1-3-6(8)4-5(2)7/h4,8H,3,7H2,1-2H3/b5-4?,8-6+
InChIKeyGDOZVOFVNMDYFL-MJZAGPDTSA-N
MW112.18 g/mol
LogP1.28
Rot. Bonds2

About 4-iminohex-2-en-2-amine

4-iminohex-2-en-2-amine (PubChem CID 147619512) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 4-iminohex-2-en-2-amine.

Molecular Properties

Compound Name4-iminohex-2-en-2-amine
PubChem CID147619512
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name4-iminohex-2-en-2-amine
SMILES[H]/N=C(/C=C(C)N)CC
InChIInChI=1S/C6H12N2/c1-3-6(8)4-5(2)7/h4,8H,3,7H2,1-2H3/b5-4?,8-6+
InChIKeyGDOZVOFVNMDYFL-MJZAGPDTSA-N
XLogP1.28
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 ≤ 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 4-iminohex-2-en-2-amine?
The IUPAC name of 4-iminohex-2-en-2-amine (CID 147619512) is 4-iminohex-2-en-2-amine.
What is the SMILES notation for 4-iminohex-2-en-2-amine?
The canonical SMILES for 4-iminohex-2-en-2-amine is [H]/N=C(/C=C(C)N)CC.
What is the InChIKey of 4-iminohex-2-en-2-amine?
The InChIKey is GDOZVOFVNMDYFL-MJZAGPDTSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-6(8)4-5(2)7/h4,8H,3,7H2,1-2H3/b5-4?,8-6+.
What are the key properties of 4-iminohex-2-en-2-amine?
4-iminohex-2-en-2-amine has a molecular weight of 112.18 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iminohex-2-en-2-amine is sourced from PubChem (CID 147619512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).