3-methyl-2-(3-methylheptyl)-4H-azepine

C15H25N — CID 90756270

IUPAC3-methyl-2-(3-methylheptyl)-4H-azepine
SMILESCCCCC(C)CCC1=C(C)CC=CC=N1
InChIInChI=1S/C15H25N/c1-4-5-8-13(2)10-11-15-14(3)9-6-7-12-16-15/h6-7,12-13H,4-5,8-11H2,1-3H3
InChIKeyWWSQTKXKEVPREL-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.90
Rot. Bonds6

About 3-methyl-2-(3-methylheptyl)-4H-azepine

3-methyl-2-(3-methylheptyl)-4H-azepine (PubChem CID 90756270) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 3-methyl-2-(3-methylheptyl)-4H-azepine.

Molecular Properties

Compound Name3-methyl-2-(3-methylheptyl)-4H-azepine
PubChem CID90756270
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name3-methyl-2-(3-methylheptyl)-4H-azepine
SMILESCCCCC(C)CCC1=C(C)CC=CC=N1
InChIInChI=1S/C15H25N/c1-4-5-8-13(2)10-11-15-14(3)9-6-7-12-16-15/h6-7,12-13H,4-5,8-11H2,1-3H3
InChIKeyWWSQTKXKEVPREL-UHFFFAOYSA-N
XLogP4.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 168197131
3-Butyl-6-fluoro-2-methylidene-3,4-dihydroazepine
CID 145592181
But-2-enylidene-[1-methyl-1-(4-methyl-cyclohex-3-enyl)-ethyl]-amine
CID 5370279
6,7-Dimethyl-4a,5,8,8a-tetrahydroquinoline
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5-[(3-methylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
CID 59152633
5-[(3-ethylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
CID 68011916
2,4-diethyl-3-methyl-3,4-dihydro-2H-azepine
CID 68391441
3-methyl-2-propan-2-yl-3,4-dihydro-2H-azepine
CID 69923477
4-(2-Propylpent-4-enyl)cyclopenta[b]pyrrole
CID 70164061
N-[(2Z,4E,6E)-7-methyl-4-(2-methylbutyl)nona-2,4,6,8-tetraen-3-yl]prop-2-en-1-imine
CID 88267020
N-[(2Z,4Z)-6-ethylnona-2,4-dien-5-yl]ethanimine
CID 89186964
(2R)-3-methyl-2-propan-2-yl-3,4-dihydro-2H-azepine
CID 89243825

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methylheptyl)-4H-azepine?
The IUPAC name of 3-methyl-2-(3-methylheptyl)-4H-azepine (CID 90756270) is 3-methyl-2-(3-methylheptyl)-4H-azepine.
What is the SMILES notation for 3-methyl-2-(3-methylheptyl)-4H-azepine?
The canonical SMILES for 3-methyl-2-(3-methylheptyl)-4H-azepine is CCCCC(C)CCC1=C(C)CC=CC=N1.
What is the InChIKey of 3-methyl-2-(3-methylheptyl)-4H-azepine?
The InChIKey is WWSQTKXKEVPREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-4-5-8-13(2)10-11-15-14(3)9-6-7-12-16-15/h6-7,12-13H,4-5,8-11H2,1-3H3.
What are the key properties of 3-methyl-2-(3-methylheptyl)-4H-azepine?
3-methyl-2-(3-methylheptyl)-4H-azepine has a molecular weight of 219.37 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-methylheptyl)-4H-azepine is sourced from PubChem (CID 90756270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).