4-imino-N,N-dimethylhexan-1-amine

C8H18N2 — CID 90879333

IUPAC4-imino-N,N-dimethylhexan-1-amine
SMILES[H]/N=C(\CC)CCCN(C)C
InChIInChI=1S/C8H18N2/c1-4-8(9)6-5-7-10(2)3/h9H,4-7H2,1-3H3/b9-8+
InChIKeyZVVIJCHPVNOLLG-CMDGGOBGSA-N
MW142.25 g/mol
LogP1.76
Rot. Bonds5

About 4-imino-N,N-dimethylhexan-1-amine

4-imino-N,N-dimethylhexan-1-amine (PubChem CID 90879333) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 4-imino-N,N-dimethylhexan-1-amine.

Molecular Properties

Compound Name4-imino-N,N-dimethylhexan-1-amine
PubChem CID90879333
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name4-imino-N,N-dimethylhexan-1-amine
SMILES[H]/N=C(\CC)CCCN(C)C
InChIInChI=1S/C8H18N2/c1-4-8(9)6-5-7-10(2)3/h9H,4-7H2,1-3H3/b9-8+
InChIKeyZVVIJCHPVNOLLG-CMDGGOBGSA-N
XLogP1.76
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
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-imino-N,N-dimethylhexan-1-amine?
The IUPAC name of 4-imino-N,N-dimethylhexan-1-amine (CID 90879333) is 4-imino-N,N-dimethylhexan-1-amine.
What is the SMILES notation for 4-imino-N,N-dimethylhexan-1-amine?
The canonical SMILES for 4-imino-N,N-dimethylhexan-1-amine is [H]/N=C(\CC)CCCN(C)C.
What is the InChIKey of 4-imino-N,N-dimethylhexan-1-amine?
The InChIKey is ZVVIJCHPVNOLLG-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H18N2/c1-4-8(9)6-5-7-10(2)3/h9H,4-7H2,1-3H3/b9-8+.
What are the key properties of 4-imino-N,N-dimethylhexan-1-amine?
4-imino-N,N-dimethylhexan-1-amine has a molecular weight of 142.25 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-N,N-dimethylhexan-1-amine is sourced from PubChem (CID 90879333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).