6-methyl-1-propan-2-yl-2,3,4,5-tetrahydroazepine

C10H19N — CID 66910914

IUPAC6-methyl-1-propan-2-yl-2,3,4,5-tetrahydroazepine
SMILESCC1=CN(C(C)C)CCCC1
InChIInChI=1S/C10H19N/c1-9(2)11-7-5-4-6-10(3)8-11/h8-9H,4-7H2,1-3H3
InChIKeyQQTADQKBUPDTCS-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.78
Rot. Bonds1

About 6-methyl-1-propan-2-yl-2,3,4,5-tetrahydroazepine

6-methyl-1-propan-2-yl-2,3,4,5-tetrahydroazepine (PubChem CID 66910914) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 6-methyl-1-propan-2-yl-2,3,4,5-tetrahydroazepine.

Molecular Properties

Compound Name6-methyl-1-propan-2-yl-2,3,4,5-tetrahydroazepine
PubChem CID66910914
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name6-methyl-1-propan-2-yl-2,3,4,5-tetrahydroazepine
SMILESCC1=CN(C(C)C)CCCC1
InChIInChI=1S/C10H19N/c1-9(2)11-7-5-4-6-10(3)8-11/h8-9H,4-7H2,1-3H3
InChIKeyQQTADQKBUPDTCS-UHFFFAOYSA-N
XLogP2.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-methyl-1-propan-2-yl-2,3,4,5-tetrahydroazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-propan-2-yl-2,3,4,5-tetrahydroazepine?
The IUPAC name of 6-methyl-1-propan-2-yl-2,3,4,5-tetrahydroazepine (CID 66910914) is 6-methyl-1-propan-2-yl-2,3,4,5-tetrahydroazepine.
What is the SMILES notation for 6-methyl-1-propan-2-yl-2,3,4,5-tetrahydroazepine?
The canonical SMILES for 6-methyl-1-propan-2-yl-2,3,4,5-tetrahydroazepine is CC1=CN(C(C)C)CCCC1.
What is the InChIKey of 6-methyl-1-propan-2-yl-2,3,4,5-tetrahydroazepine?
The InChIKey is QQTADQKBUPDTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-9(2)11-7-5-4-6-10(3)8-11/h8-9H,4-7H2,1-3H3.
What are the key properties of 6-methyl-1-propan-2-yl-2,3,4,5-tetrahydroazepine?
6-methyl-1-propan-2-yl-2,3,4,5-tetrahydroazepine has a molecular weight of 153.27 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-propan-2-yl-2,3,4,5-tetrahydroazepine is sourced from PubChem (CID 66910914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).