3-cyclopropyl-1-(2,2-dimethylpropyl)-1,4-diazepane

C13H26N2 — CID 64943808

IUPAC3-cyclopropyl-1-(2,2-dimethylpropyl)-1,4-diazepane
SMILESCC(C)(C)CN1CCCNC(C2CC2)C1
InChIInChI=1S/C13H26N2/c1-13(2,3)10-15-8-4-7-14-12(9-15)11-5-6-11/h11-12,14H,4-10H2,1-3H3
InChIKeyYTUJPNYAAHSPRK-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.11
Rot. Bonds2

About 3-cyclopropyl-1-(2,2-dimethylpropyl)-1,4-diazepane

3-cyclopropyl-1-(2,2-dimethylpropyl)-1,4-diazepane (PubChem CID 64943808) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2,2-dimethylpropyl)-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-1-(2,2-dimethylpropyl)-1,4-diazepane
PubChem CID64943808
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name3-cyclopropyl-1-(2,2-dimethylpropyl)-1,4-diazepane
SMILESCC(C)(C)CN1CCCNC(C2CC2)C1
InChIInChI=1S/C13H26N2/c1-13(2,3)10-15-8-4-7-14-12(9-15)11-5-6-11/h11-12,14H,4-10H2,1-3H3
InChIKeyYTUJPNYAAHSPRK-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclopropyl-1-(2,2-dimethylpropyl)-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

3-cyclopropyl-1-(2-methyl-2-methylsulfonylpropyl)-1,4-diazepane
CID 79550399
3-cyclopropyl-1-(2-methylbutyl)-1,4-diazepane
CID 64871916
3-cyclopropyl-1-(2,4-dimethylpentyl)-1,4-diazepane
CID 114201405
3-cyclopropyl-1-[(2-methylcyclohexyl)methyl]-1,4-diazepane
CID 64944041
3-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-1,4-diazepane
CID 64872115
3-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-1,4-diazepane
CID 103141652
3-cyclohexyl-1-(3-fluoropropyl)-1,4-diazepane
CID 81114088
1-(2-cyclopentyloxyethyl)-3-cyclopropyl-1,4-diazepane
CID 64951588
3-cyclopropyl-1-(oxan-2-ylmethyl)-1,4-diazepane
CID 64871322
3-cyclopropyl-1-[(4-fluorophenyl)methyl]-1,4-diazepane
CID 64870330
1-(2,2-dimethylpropyl)-3-phenyl-1,4-diazepane
CID 64944001
1-[(4-bromothiophen-2-yl)methyl]-3-cyclopropyl-1,4-diazepane
CID 64869938

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2,2-dimethylpropyl)-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-1-(2,2-dimethylpropyl)-1,4-diazepane (CID 64943808) is 3-cyclopropyl-1-(2,2-dimethylpropyl)-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-1-(2,2-dimethylpropyl)-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-1-(2,2-dimethylpropyl)-1,4-diazepane is CC(C)(C)CN1CCCNC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-(2,2-dimethylpropyl)-1,4-diazepane?
The InChIKey is YTUJPNYAAHSPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-13(2,3)10-15-8-4-7-14-12(9-15)11-5-6-11/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 3-cyclopropyl-1-(2,2-dimethylpropyl)-1,4-diazepane?
3-cyclopropyl-1-(2,2-dimethylpropyl)-1,4-diazepane has a molecular weight of 210.36 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2,2-dimethylpropyl)-1,4-diazepane is sourced from PubChem (CID 64943808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).