2-iminoheptan-4-amine

C7H16N2 — CID 87507987

IUPAC2-iminoheptan-4-amine
SMILES[H]/N=C(\C)CC(N)CCC
InChIInChI=1S/C7H16N2/c1-3-4-7(9)5-6(2)8/h7-8H,3-5,9H2,1-2H3/b8-6+
InChIKeyMJOKXOMUKFHSDY-SOFGYWHQSA-N
MW128.22 g/mol
LogP1.54
Rot. Bonds4

About 2-iminoheptan-4-amine

2-iminoheptan-4-amine (PubChem CID 87507987) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 2-iminoheptan-4-amine.

Molecular Properties

Compound Name2-iminoheptan-4-amine
PubChem CID87507987
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name2-iminoheptan-4-amine
SMILES[H]/N=C(\C)CC(N)CCC
InChIInChI=1S/C7H16N2/c1-3-4-7(9)5-6(2)8/h7-8H,3-5,9H2,1-2H3/b8-6+
InChIKeyMJOKXOMUKFHSDY-SOFGYWHQSA-N
XLogP1.54
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.54
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 2-iminoheptan-4-amine?
The IUPAC name of 2-iminoheptan-4-amine (CID 87507987) is 2-iminoheptan-4-amine.
What is the SMILES notation for 2-iminoheptan-4-amine?
The canonical SMILES for 2-iminoheptan-4-amine is [H]/N=C(\C)CC(N)CCC.
What is the InChIKey of 2-iminoheptan-4-amine?
The InChIKey is MJOKXOMUKFHSDY-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H16N2/c1-3-4-7(9)5-6(2)8/h7-8H,3-5,9H2,1-2H3/b8-6+.
What are the key properties of 2-iminoheptan-4-amine?
2-iminoheptan-4-amine has a molecular weight of 128.22 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iminoheptan-4-amine is sourced from PubChem (CID 87507987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).