2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine

C16H33N3 — CID 55056218

IUPAC2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine
SMILESCCNCC(CC)(CC)CN1CCN(C2CC2)CC1
InChIInChI=1S/C16H33N3/c1-4-16(5-2,13-17-6-3)14-18-9-11-19(12-10-18)15-7-8-15/h15,17H,4-14H2,1-3H3
InChIKeyQLEFKKSJFZKRRD-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds8

About 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine

2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine (PubChem CID 55056218) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine
PubChem CID55056218
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine
SMILESCCNCC(CC)(CC)CN1CCN(C2CC2)CC1
InChIInChI=1S/C16H33N3/c1-4-16(5-2,13-17-6-3)14-18-9-11-19(12-10-18)15-7-8-15/h15,17H,4-14H2,1-3H3
InChIKeyQLEFKKSJFZKRRD-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-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 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine?
The IUPAC name of 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine (CID 55056218) is 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine.
What is the SMILES notation for 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine?
The canonical SMILES for 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine is CCNCC(CC)(CC)CN1CCN(C2CC2)CC1.
What is the InChIKey of 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine?
The InChIKey is QLEFKKSJFZKRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-4-16(5-2,13-17-6-3)14-18-9-11-19(12-10-18)15-7-8-15/h15,17H,4-14H2,1-3H3.
What are the key properties of 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine?
2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine is sourced from PubChem (CID 55056218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).