6,6-dimethylazepan-4-amine

C8H18N2 — CID 123426306

IUPAC6,6-dimethylazepan-4-amine
SMILESCC1(C)CNCCC(N)C1
InChIInChI=1S/C8H18N2/c1-8(2)5-7(9)3-4-10-6-8/h7,10H,3-6,9H2,1-2H3
InChIKeyZVQPQPUAWLLZKL-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.72
Rot. Bonds

About 6,6-dimethylazepan-4-amine

6,6-dimethylazepan-4-amine (PubChem CID 123426306) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 6,6-dimethylazepan-4-amine.

Molecular Properties

Compound Name6,6-dimethylazepan-4-amine
PubChem CID123426306
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name6,6-dimethylazepan-4-amine
SMILESCC1(C)CNCCC(N)C1
InChIInChI=1S/C8H18N2/c1-8(2)5-7(9)3-4-10-6-8/h7,10H,3-6,9H2,1-2H3
InChIKeyZVQPQPUAWLLZKL-UHFFFAOYSA-N
XLogP0.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethylazepan-4-amine?
The IUPAC name of 6,6-dimethylazepan-4-amine (CID 123426306) is 6,6-dimethylazepan-4-amine.
What is the SMILES notation for 6,6-dimethylazepan-4-amine?
The canonical SMILES for 6,6-dimethylazepan-4-amine is CC1(C)CNCCC(N)C1.
What is the InChIKey of 6,6-dimethylazepan-4-amine?
The InChIKey is ZVQPQPUAWLLZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-8(2)5-7(9)3-4-10-6-8/h7,10H,3-6,9H2,1-2H3.
What are the key properties of 6,6-dimethylazepan-4-amine?
6,6-dimethylazepan-4-amine has a molecular weight of 142.25 g/mol, XLogP of 0.72, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethylazepan-4-amine is sourced from PubChem (CID 123426306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).