1-tert-butyl-4-methyl-1,4-diazepane

C10H22N2 — CID 20766992

IUPAC1-tert-butyl-4-methyl-1,4-diazepane
SMILESCN1CCCN(C(C)(C)C)CC1
InChIInChI=1S/C10H22N2/c1-10(2,3)12-7-5-6-11(4)8-9-12/h5-9H2,1-4H3
InChIKeyXTJLAABJCHBSJX-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.42
Rot. Bonds

About 1-tert-butyl-4-methyl-1,4-diazepane

1-tert-butyl-4-methyl-1,4-diazepane (PubChem CID 20766992) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-tert-butyl-4-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-tert-butyl-4-methyl-1,4-diazepane
PubChem CID20766992
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1-tert-butyl-4-methyl-1,4-diazepane
SMILESCN1CCCN(C(C)(C)C)CC1
InChIInChI=1S/C10H22N2/c1-10(2,3)12-7-5-6-11(4)8-9-12/h5-9H2,1-4H3
InChIKeyXTJLAABJCHBSJX-UHFFFAOYSA-N
XLogP1.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-4-methyl-1,4-diazepane with MolForge

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

Launch Full Analysis

Related Compounds

1,4-Dimethylhomopiperazine
CID 251476
1-(1,1-Dimethylethyl)hexahydro-1H-1,4-diazepine
CID 23592887
1,3,3-Trimethyl-1,4-diazepane
CID 64870871
N,N,1,4,6-pentamethyl-1,4-diazepan-6-amine
CID 11858876
1-Ethyl-4-methyl-1,4-diazepane
CID 22165959
1-Tert-butyl-4-(2-fluoroethyl)-1,4-diazepane
CID 58311670
1-Tert-butyl-4-(2,2,2-trifluoroethyl)-1,4-diazepane
CID 68250446
1-Tert-butyl-4-(2,2-difluoroethyl)-1,4-diazepane
CID 140929454
6-Fluoro-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291266
1-Fluoro-4-propan-2-yl-1,4-diazepane
CID 155701545
1-(2-Fluoroethyl)-4,6,6-trimethyl-1,4-diazepane
CID 163368052
1-Tert-butyl-4-ethyl-6,6-difluoro-1,4-diazepane
CID 164709883

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methyl-1,4-diazepane?
The IUPAC name of 1-tert-butyl-4-methyl-1,4-diazepane (CID 20766992) is 1-tert-butyl-4-methyl-1,4-diazepane.
What is the SMILES notation for 1-tert-butyl-4-methyl-1,4-diazepane?
The canonical SMILES for 1-tert-butyl-4-methyl-1,4-diazepane is CN1CCCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-methyl-1,4-diazepane?
The InChIKey is XTJLAABJCHBSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-10(2,3)12-7-5-6-11(4)8-9-12/h5-9H2,1-4H3.
What are the key properties of 1-tert-butyl-4-methyl-1,4-diazepane?
1-tert-butyl-4-methyl-1,4-diazepane has a molecular weight of 170.30 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methyl-1,4-diazepane is sourced from PubChem (CID 20766992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).