[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-ethylcyclohexyl]methanamine

C17H33N3 — CID 61440702

IUPAC[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)C(N2CCN(CC3CC3)CC2)C1
InChIInChI=1S/C17H33N3/c1-2-14-5-6-16(12-18)17(11-14)20-9-7-19(8-10-20)13-15-3-4-15/h14-17H,2-13,18H2,1H3
InChIKeyRTZDEFVFJGVZOF-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.17
Rot. Bonds5

About [2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-ethylcyclohexyl]methanamine

[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-ethylcyclohexyl]methanamine (PubChem CID 61440702) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is [2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-ethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-ethylcyclohexyl]methanamine
PubChem CID61440702
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)C(N2CCN(CC3CC3)CC2)C1
InChIInChI=1S/C17H33N3/c1-2-14-5-6-16(12-18)17(11-14)20-9-7-19(8-10-20)13-15-3-4-15/h14-17H,2-13,18H2,1H3
InChIKeyRTZDEFVFJGVZOF-UHFFFAOYSA-N
XLogP2.17
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-ethylcyclohexyl]methanamine 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]-4-ethylcyclohexyl]methanamine?
The IUPAC name of [2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-ethylcyclohexyl]methanamine (CID 61440702) is [2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-ethylcyclohexyl]methanamine.
What is the SMILES notation for [2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-ethylcyclohexyl]methanamine?
The canonical SMILES for [2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-ethylcyclohexyl]methanamine is CCC1CCC(CN)C(N2CCN(CC3CC3)CC2)C1.
What is the InChIKey of [2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-ethylcyclohexyl]methanamine?
The InChIKey is RTZDEFVFJGVZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-2-14-5-6-16(12-18)17(11-14)20-9-7-19(8-10-20)13-15-3-4-15/h14-17H,2-13,18H2,1H3.
What are the key properties of [2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-ethylcyclohexyl]methanamine?
[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-ethylcyclohexyl]methanamine has a molecular weight of 279.47 g/mol, XLogP of 2.17, 5 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]-4-ethylcyclohexyl]methanamine is sourced from PubChem (CID 61440702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).