4-ethylimino-2,5-dimethylhexan-3-amine

C10H22N2 — CID 123346780

IUPAC4-ethylimino-2,5-dimethylhexan-3-amine
SMILESCC/N=C(\C(C)C)C(N)C(C)C
InChIInChI=1S/C10H22N2/c1-6-12-10(8(4)5)9(11)7(2)3/h7-9H,6,11H2,1-5H3/b12-10+
InChIKeyOQTAQDVTESYRAH-ZRDIBKRKSA-N
MW170.30 g/mol
LogP2.09
Rot. Bonds4

About 4-ethylimino-2,5-dimethylhexan-3-amine

4-ethylimino-2,5-dimethylhexan-3-amine (PubChem CID 123346780) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 4-ethylimino-2,5-dimethylhexan-3-amine.

Molecular Properties

Compound Name4-ethylimino-2,5-dimethylhexan-3-amine
PubChem CID123346780
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name4-ethylimino-2,5-dimethylhexan-3-amine
SMILESCC/N=C(\C(C)C)C(N)C(C)C
InChIInChI=1S/C10H22N2/c1-6-12-10(8(4)5)9(11)7(2)3/h7-9H,6,11H2,1-5H3/b12-10+
InChIKeyOQTAQDVTESYRAH-ZRDIBKRKSA-N
XLogP2.09
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.09
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-ethylimino-2,5-dimethylhexan-3-amine?
The IUPAC name of 4-ethylimino-2,5-dimethylhexan-3-amine (CID 123346780) is 4-ethylimino-2,5-dimethylhexan-3-amine.
What is the SMILES notation for 4-ethylimino-2,5-dimethylhexan-3-amine?
The canonical SMILES for 4-ethylimino-2,5-dimethylhexan-3-amine is CC/N=C(\C(C)C)C(N)C(C)C.
What is the InChIKey of 4-ethylimino-2,5-dimethylhexan-3-amine?
The InChIKey is OQTAQDVTESYRAH-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H22N2/c1-6-12-10(8(4)5)9(11)7(2)3/h7-9H,6,11H2,1-5H3/b12-10+.
What are the key properties of 4-ethylimino-2,5-dimethylhexan-3-amine?
4-ethylimino-2,5-dimethylhexan-3-amine has a molecular weight of 170.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylimino-2,5-dimethylhexan-3-amine is sourced from PubChem (CID 123346780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).