2,7-dimethylazepan-4-amine

C8H18N2 — CID 70340178

IUPAC2,7-dimethylazepan-4-amine
SMILESCC1CCC(N)CC(C)N1
InChIInChI=1S/C8H18N2/c1-6-3-4-8(9)5-7(2)10-6/h6-8,10H,3-5,9H2,1-2H3
InChIKeyTYDODNOVOCBHAT-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.86
Rot. Bonds

About 2,7-dimethylazepan-4-amine

2,7-dimethylazepan-4-amine (PubChem CID 70340178) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 2,7-dimethylazepan-4-amine.

Molecular Properties

Compound Name2,7-dimethylazepan-4-amine
PubChem CID70340178
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name2,7-dimethylazepan-4-amine
SMILESCC1CCC(N)CC(C)N1
InChIInChI=1S/C8H18N2/c1-6-3-4-8(9)5-7(2)10-6/h6-8,10H,3-5,9H2,1-2H3
InChIKeyTYDODNOVOCBHAT-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylazepan-4-amine?
The IUPAC name of 2,7-dimethylazepan-4-amine (CID 70340178) is 2,7-dimethylazepan-4-amine.
What is the SMILES notation for 2,7-dimethylazepan-4-amine?
The canonical SMILES for 2,7-dimethylazepan-4-amine is CC1CCC(N)CC(C)N1.
What is the InChIKey of 2,7-dimethylazepan-4-amine?
The InChIKey is TYDODNOVOCBHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-6-3-4-8(9)5-7(2)10-6/h6-8,10H,3-5,9H2,1-2H3.
What are the key properties of 2,7-dimethylazepan-4-amine?
2,7-dimethylazepan-4-amine has a molecular weight of 142.25 g/mol, XLogP of 0.86, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylazepan-4-amine is sourced from PubChem (CID 70340178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).