3-cyclobutyl-2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-1-amine

C15H31N3 — CID 114086482

IUPAC3-cyclobutyl-2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-1-amine
SMILESCC1CN(C)CCCN1C(C)(CN)CC1CCC1
InChIInChI=1S/C15H31N3/c1-13-11-17(3)8-5-9-18(13)15(2,12-16)10-14-6-4-7-14/h13-14H,4-12,16H2,1-3H3
InChIKeyFSWLNZRKPZTMNJ-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.92
Rot. Bonds4

About 3-cyclobutyl-2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-1-amine

3-cyclobutyl-2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-1-amine (PubChem CID 114086482) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-cyclobutyl-2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-cyclobutyl-2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-1-amine
PubChem CID114086482
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name3-cyclobutyl-2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-1-amine
SMILESCC1CN(C)CCCN1C(C)(CN)CC1CCC1
InChIInChI=1S/C15H31N3/c1-13-11-17(3)8-5-9-18(13)15(2,12-16)10-14-6-4-7-14/h13-14H,4-12,16H2,1-3H3
InChIKeyFSWLNZRKPZTMNJ-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclobutyl-2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-1-amine 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 3-cyclobutyl-2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-cyclobutyl-2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-1-amine (CID 114086482) is 3-cyclobutyl-2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-cyclobutyl-2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-cyclobutyl-2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-1-amine is CC1CN(C)CCCN1C(C)(CN)CC1CCC1.
What is the InChIKey of 3-cyclobutyl-2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-1-amine?
The InChIKey is FSWLNZRKPZTMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-13-11-17(3)8-5-9-18(13)15(2,12-16)10-14-6-4-7-14/h13-14H,4-12,16H2,1-3H3.
What are the key properties of 3-cyclobutyl-2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-1-amine?
3-cyclobutyl-2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 114086482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).