4-methylazepane

C7H15N — CID 19600416

IUPAC4-methylazepane
SMILESCC1CCCNCC1
InChIInChI=1S/C7H15N/c1-7-3-2-5-8-6-4-7/h7-8H,2-6H2,1H3
InChIKeyWKZHYWWKUYGHKO-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.40
Rot. Bonds

About 4-methylazepane

4-methylazepane (PubChem CID 19600416) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is 4-methylazepane.

Molecular Properties

Compound Name4-methylazepane
PubChem CID19600416
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name4-methylazepane
SMILESCC1CCCNCC1
InChIInChI=1S/C7H15N/c1-7-3-2-5-8-6-4-7/h7-8H,2-6H2,1H3
InChIKeyWKZHYWWKUYGHKO-UHFFFAOYSA-N
XLogP1.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1H-Azepine, hexahydro-3,3,5-trimethyl-
CID 118239
4,4-Dimethylazepane hydrochloride
CID 66850259
1H-Azepine, hexahydro-3,5,5-trimethyl-
CID 118240
4-Ethylazepane
CID 17996801
4-(Propan-2-yl)azepane
CID 19964977
4,4-Dimethylazepane
CID 21479113
4-Tert-butylazepane
CID 22764270
Hexahydro-3,3,5,5-tetramethyl-1H-azepine
CID 54129538
4,4-Diethylazepane
CID 75525697
rac-(3R,5S)-3,5-dimethylazepane
CID 95970339
4,4-Difluoro-5-methylazepane hydrochloride
CID 118798550
3-Azabicyclo[4.1.0]heptane
CID 20521861

Frequently Asked Questions

What is the IUPAC name of 4-methylazepane?
The IUPAC name of 4-methylazepane (CID 19600416) is 4-methylazepane.
What is the SMILES notation for 4-methylazepane?
The canonical SMILES for 4-methylazepane is CC1CCCNCC1.
What is the InChIKey of 4-methylazepane?
The InChIKey is WKZHYWWKUYGHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-7-3-2-5-8-6-4-7/h7-8H,2-6H2,1H3.
What are the key properties of 4-methylazepane?
4-methylazepane has a molecular weight of 113.20 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylazepane is sourced from PubChem (CID 19600416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).