3-imino-N,4-dimethylhexan-2-amine

C8H18N2 — CID 146640500

IUPAC3-imino-N,4-dimethylhexan-2-amine
SMILES[H]/N=C(\C(C)CC)C(C)NC
InChIInChI=1S/C8H18N2/c1-5-6(2)8(9)7(3)10-4/h6-7,9-10H,5H2,1-4H3/b9-8+
InChIKeyINAXJFWPMUFHOK-CMDGGOBGSA-N
MW142.25 g/mol
LogP1.66
Rot. Bonds4

About 3-imino-N,4-dimethylhexan-2-amine

3-imino-N,4-dimethylhexan-2-amine (PubChem CID 146640500) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 3-imino-N,4-dimethylhexan-2-amine.

Molecular Properties

Compound Name3-imino-N,4-dimethylhexan-2-amine
PubChem CID146640500
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name3-imino-N,4-dimethylhexan-2-amine
SMILES[H]/N=C(\C(C)CC)C(C)NC
InChIInChI=1S/C8H18N2/c1-5-6(2)8(9)7(3)10-4/h6-7,9-10H,5H2,1-4H3/b9-8+
InChIKeyINAXJFWPMUFHOK-CMDGGOBGSA-N
XLogP1.66
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.66
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-imino-N,4-dimethylhexan-2-amine?
The IUPAC name of 3-imino-N,4-dimethylhexan-2-amine (CID 146640500) is 3-imino-N,4-dimethylhexan-2-amine.
What is the SMILES notation for 3-imino-N,4-dimethylhexan-2-amine?
The canonical SMILES for 3-imino-N,4-dimethylhexan-2-amine is [H]/N=C(\C(C)CC)C(C)NC.
What is the InChIKey of 3-imino-N,4-dimethylhexan-2-amine?
The InChIKey is INAXJFWPMUFHOK-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H18N2/c1-5-6(2)8(9)7(3)10-4/h6-7,9-10H,5H2,1-4H3/b9-8+.
What are the key properties of 3-imino-N,4-dimethylhexan-2-amine?
3-imino-N,4-dimethylhexan-2-amine has a molecular weight of 142.25 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-N,4-dimethylhexan-2-amine is sourced from PubChem (CID 146640500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).