3-iminohexan-2-amine

C6H14N2 — CID 123465139

IUPAC3-iminohexan-2-amine
SMILES[H]/N=C(\CCC)C(C)N
InChIInChI=1S/C6H14N2/c1-3-4-6(8)5(2)7/h5,8H,3-4,7H2,1-2H3/b8-6+
InChIKeyIGAQSPMQWTVPDH-SOFGYWHQSA-N
MW114.19 g/mol
LogP1.15
Rot. Bonds3

About 3-iminohexan-2-amine

3-iminohexan-2-amine (PubChem CID 123465139) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is 3-iminohexan-2-amine.

Molecular Properties

Compound Name3-iminohexan-2-amine
PubChem CID123465139
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name3-iminohexan-2-amine
SMILES[H]/N=C(\CCC)C(C)N
InChIInChI=1S/C6H14N2/c1-3-4-6(8)5(2)7/h5,8H,3-4,7H2,1-2H3/b8-6+
InChIKeyIGAQSPMQWTVPDH-SOFGYWHQSA-N
XLogP1.15
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.15
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 3-iminohexan-2-amine?
The IUPAC name of 3-iminohexan-2-amine (CID 123465139) is 3-iminohexan-2-amine.
What is the SMILES notation for 3-iminohexan-2-amine?
The canonical SMILES for 3-iminohexan-2-amine is [H]/N=C(\CCC)C(C)N.
What is the InChIKey of 3-iminohexan-2-amine?
The InChIKey is IGAQSPMQWTVPDH-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H14N2/c1-3-4-6(8)5(2)7/h5,8H,3-4,7H2,1-2H3/b8-6+.
What are the key properties of 3-iminohexan-2-amine?
3-iminohexan-2-amine has a molecular weight of 114.19 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iminohexan-2-amine is sourced from PubChem (CID 123465139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).