3-imino-5,5-dimethylhexan-2-amine

C8H18N2 — CID 90913913

IUPAC3-imino-5,5-dimethylhexan-2-amine
SMILES[H]/N=C(/CC(C)(C)C)C(C)N
InChIInChI=1S/C8H18N2/c1-6(9)7(10)5-8(2,3)4/h6,10H,5,9H2,1-4H3/b10-7-
InChIKeyLVNAUSWLETZKSF-YFHOEESVSA-N
MW142.25 g/mol
LogP1.79
Rot. Bonds2

About 3-imino-5,5-dimethylhexan-2-amine

3-imino-5,5-dimethylhexan-2-amine (PubChem CID 90913913) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 3-imino-5,5-dimethylhexan-2-amine.

Molecular Properties

Compound Name3-imino-5,5-dimethylhexan-2-amine
PubChem CID90913913
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name3-imino-5,5-dimethylhexan-2-amine
SMILES[H]/N=C(/CC(C)(C)C)C(C)N
InChIInChI=1S/C8H18N2/c1-6(9)7(10)5-8(2,3)4/h6,10H,5,9H2,1-4H3/b10-7-
InChIKeyLVNAUSWLETZKSF-YFHOEESVSA-N
XLogP1.79
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.79
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

Hexane, 1-amino-5-hydroxyimino-4,4-dimethyl-
CID 139687514
N-fluoro-6-imino-4,4-dimethylhexan-2-amine
CID 123750018
3-(5,6-dimethyl-3,4-dihydro-2H-pyridin-5-yl)propan-1-amine
CID 21817485
5,5-Dimethylhexane-1,4-diamine
CID 23439524
3-Ethanimidoylheptan-1-amine
CID 58733709
2,2-Dimethylhexane-1,5-diamine
CID 87395017
4-Imino-5-methylhexan-3-amine
CID 91103014
2-(3-Imino-5-methylhexan-2-yl)imino-5-methylhexan-3-amine
CID 91220991
5-Methyl-3-methyliminohexan-1-amine
CID 123161747
5-Imino-3-methylhexan-2-amine
CID 123192152
3-Imino-9-methyldecan-2-amine
CID 123211066
3-Imino-2-methylhexan-1-amine
CID 123218545

Frequently Asked Questions

What is the IUPAC name of 3-imino-5,5-dimethylhexan-2-amine?
The IUPAC name of 3-imino-5,5-dimethylhexan-2-amine (CID 90913913) is 3-imino-5,5-dimethylhexan-2-amine.
What is the SMILES notation for 3-imino-5,5-dimethylhexan-2-amine?
The canonical SMILES for 3-imino-5,5-dimethylhexan-2-amine is [H]/N=C(/CC(C)(C)C)C(C)N.
What is the InChIKey of 3-imino-5,5-dimethylhexan-2-amine?
The InChIKey is LVNAUSWLETZKSF-YFHOEESVSA-N. The full InChI is InChI=1S/C8H18N2/c1-6(9)7(10)5-8(2,3)4/h6,10H,5,9H2,1-4H3/b10-7-.
What are the key properties of 3-imino-5,5-dimethylhexan-2-amine?
3-imino-5,5-dimethylhexan-2-amine has a molecular weight of 142.25 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-5,5-dimethylhexan-2-amine is sourced from PubChem (CID 90913913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).