2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-3-methylbutan-1-amine

C15H31N3 — CID 62411228

IUPAC2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-3-methylbutan-1-amine
SMILESCCNCC(C(C)C)N1CCN(CC2CC2)CC1
InChIInChI=1S/C15H31N3/c1-4-16-11-15(13(2)3)18-9-7-17(8-10-18)12-14-5-6-14/h13-16H,4-12H2,1-3H3
InChIKeyHUEZHKSZSOEYTQ-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.65
Rot. Bonds7

About 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-3-methylbutan-1-amine

2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-3-methylbutan-1-amine (PubChem CID 62411228) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-3-methylbutan-1-amine
PubChem CID62411228
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-3-methylbutan-1-amine
SMILESCCNCC(C(C)C)N1CCN(CC2CC2)CC1
InChIInChI=1S/C15H31N3/c1-4-16-11-15(13(2)3)18-9-7-17(8-10-18)12-14-5-6-14/h13-16H,4-12H2,1-3H3
InChIKeyHUEZHKSZSOEYTQ-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-3-methylbutan-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-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-3-methylbutan-1-amine?
The IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-3-methylbutan-1-amine (CID 62411228) is 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-3-methylbutan-1-amine.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-3-methylbutan-1-amine?
The canonical SMILES for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-3-methylbutan-1-amine is CCNCC(C(C)C)N1CCN(CC2CC2)CC1.
What is the InChIKey of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-3-methylbutan-1-amine?
The InChIKey is HUEZHKSZSOEYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-4-16-11-15(13(2)3)18-9-7-17(8-10-18)12-14-5-6-14/h13-16H,4-12H2,1-3H3.
What are the key properties of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-3-methylbutan-1-amine?
2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-3-methylbutan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-3-methylbutan-1-amine is sourced from PubChem (CID 62411228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).