3,7-dimethyl-3,4-dihydro-2H-azepine

C8H13N — CID 143707511

IUPAC3,7-dimethyl-3,4-dihydro-2H-azepine
SMILESCC1=NCC(C)CC=C1
InChIInChI=1S/C8H13N/c1-7-4-3-5-8(2)9-6-7/h3,5,7H,4,6H2,1-2H3
InChIKeyMFNCVFCKFYEZCT-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.04
Rot. Bonds

About 3,7-dimethyl-3,4-dihydro-2H-azepine

3,7-dimethyl-3,4-dihydro-2H-azepine (PubChem CID 143707511) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 3,7-dimethyl-3,4-dihydro-2H-azepine.

Molecular Properties

Compound Name3,7-dimethyl-3,4-dihydro-2H-azepine
PubChem CID143707511
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name3,7-dimethyl-3,4-dihydro-2H-azepine
SMILESCC1=NCC(C)CC=C1
InChIInChI=1S/C8H13N/c1-7-4-3-5-8(2)9-6-7/h3,5,7H,4,6H2,1-2H3
InChIKeyMFNCVFCKFYEZCT-UHFFFAOYSA-N
XLogP2.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-7-(trifluoromethyl)-3,4-dihydro-2H-azepine
CID 137474084
3-Fluoro-6-propan-2-yl-2,3-dihydropyridine
CID 144060413
5-propan-2-yl-2H-pyrrole
CID 18736790
5-methyl-2-propan-2-yl-2H-pyrrole
CID 59151241
5-methyl-3-propan-2-yl-2H-pyrrole
CID 60081031
(2S)-2-methyl-6-propan-2-yl-2,3-dihydropyridine
CID 67991604
4-methyl-3,4-dihydro-2H-azepine
CID 68099595
3-methyl-3,4-dihydro-2H-azepine
CID 68099596
7-methyl-3,4-dihydro-2H-azepine
CID 68099599
3,6-Dimethyl-2,3-dihydropyridine
CID 68102669
(3R)-2,3,6-trimethyl-2,3-dihydropyridine
CID 68330511
6-Propan-2-yl-2,3-dihydropyridine
CID 70224591

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-3,4-dihydro-2H-azepine?
The IUPAC name of 3,7-dimethyl-3,4-dihydro-2H-azepine (CID 143707511) is 3,7-dimethyl-3,4-dihydro-2H-azepine.
What is the SMILES notation for 3,7-dimethyl-3,4-dihydro-2H-azepine?
The canonical SMILES for 3,7-dimethyl-3,4-dihydro-2H-azepine is CC1=NCC(C)CC=C1.
What is the InChIKey of 3,7-dimethyl-3,4-dihydro-2H-azepine?
The InChIKey is MFNCVFCKFYEZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-7-4-3-5-8(2)9-6-7/h3,5,7H,4,6H2,1-2H3.
What are the key properties of 3,7-dimethyl-3,4-dihydro-2H-azepine?
3,7-dimethyl-3,4-dihydro-2H-azepine has a molecular weight of 123.20 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-3,4-dihydro-2H-azepine is sourced from PubChem (CID 143707511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).