4-imino-5-methylhexan-3-amine

C7H16N2 — CID 91103014

IUPAC4-imino-5-methylhexan-3-amine
SMILES[H]/N=C(\C(C)C)C(N)CC
InChIInChI=1S/C7H16N2/c1-4-6(8)7(9)5(2)3/h5-6,9H,4,8H2,1-3H3/b9-7+
InChIKeyIDDYIDGBTZCNLS-VQHVLOKHSA-N
MW128.22 g/mol
LogP1.40
Rot. Bonds3

About 4-imino-5-methylhexan-3-amine

4-imino-5-methylhexan-3-amine (PubChem CID 91103014) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 4-imino-5-methylhexan-3-amine.

Molecular Properties

Compound Name4-imino-5-methylhexan-3-amine
PubChem CID91103014
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name4-imino-5-methylhexan-3-amine
SMILES[H]/N=C(\C(C)C)C(N)CC
InChIInChI=1S/C7H16N2/c1-4-6(8)7(9)5(2)3/h5-6,9H,4,8H2,1-3H3/b9-7+
InChIKeyIDDYIDGBTZCNLS-VQHVLOKHSA-N
XLogP1.40
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-Iminopropylbutylamine
CID 129731486
3-Ethyl-4-iminopentan-1-amine
CID 53865547
2-Ethyl-4-iminopentan-1-amine
CID 54527559
3-Ethanimidoylheptan-1-amine
CID 58733709
(2S,5E)-5-(iminohydrazinylidene)-4-methylhexan-2-amine
CID 59901714
2-Iminoheptan-4-amine
CID 87507987
3-Imino-4-methylpentan-2-amine
CID 89424627
(3S)-2-imino-4-methylpentan-3-amine
CID 90330132
2-Butyl-3-iminocyclopropan-1-amine
CID 90714643
3-Imino-5,5-dimethylhexan-2-amine
CID 90913913
5-Imino-4-methylhexan-1-amine
CID 90937732
2-(3-Imino-5-methylhexan-2-yl)imino-5-methylhexan-3-amine
CID 91220991

Frequently Asked Questions

What is the IUPAC name of 4-imino-5-methylhexan-3-amine?
The IUPAC name of 4-imino-5-methylhexan-3-amine (CID 91103014) is 4-imino-5-methylhexan-3-amine.
What is the SMILES notation for 4-imino-5-methylhexan-3-amine?
The canonical SMILES for 4-imino-5-methylhexan-3-amine is [H]/N=C(\C(C)C)C(N)CC.
What is the InChIKey of 4-imino-5-methylhexan-3-amine?
The InChIKey is IDDYIDGBTZCNLS-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H16N2/c1-4-6(8)7(9)5(2)3/h5-6,9H,4,8H2,1-3H3/b9-7+.
What are the key properties of 4-imino-5-methylhexan-3-amine?
4-imino-5-methylhexan-3-amine has a molecular weight of 128.22 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-5-methylhexan-3-amine is sourced from PubChem (CID 91103014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).