[2-(4-ethyl-3-methylpiperazin-1-yl)-4-propylcyclohexyl]methanamine

C17H35N3 — CID 63603329

IUPAC[2-(4-ethyl-3-methylpiperazin-1-yl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(N2CCN(CC)C(C)C2)C1
InChIInChI=1S/C17H35N3/c1-4-6-15-7-8-16(12-18)17(11-15)20-10-9-19(5-2)14(3)13-20/h14-17H,4-13,18H2,1-3H3
InChIKeyGWONHCOJQLCPPO-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.56
Rot. Bonds5

About [2-(4-ethyl-3-methylpiperazin-1-yl)-4-propylcyclohexyl]methanamine

[2-(4-ethyl-3-methylpiperazin-1-yl)-4-propylcyclohexyl]methanamine (PubChem CID 63603329) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is [2-(4-ethyl-3-methylpiperazin-1-yl)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(4-ethyl-3-methylpiperazin-1-yl)-4-propylcyclohexyl]methanamine
PubChem CID63603329
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name[2-(4-ethyl-3-methylpiperazin-1-yl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(N2CCN(CC)C(C)C2)C1
InChIInChI=1S/C17H35N3/c1-4-6-15-7-8-16(12-18)17(11-15)20-10-9-19(5-2)14(3)13-20/h14-17H,4-13,18H2,1-3H3
InChIKeyGWONHCOJQLCPPO-UHFFFAOYSA-N
XLogP2.56
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-ethyl-3-methylpiperazin-1-yl)-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-(4-ethyl-3-methylpiperazin-1-yl)-4-propylcyclohexyl]methanamine (CID 63603329) is [2-(4-ethyl-3-methylpiperazin-1-yl)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-(4-ethyl-3-methylpiperazin-1-yl)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-(4-ethyl-3-methylpiperazin-1-yl)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(N2CCN(CC)C(C)C2)C1.
What is the InChIKey of [2-(4-ethyl-3-methylpiperazin-1-yl)-4-propylcyclohexyl]methanamine?
The InChIKey is GWONHCOJQLCPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-4-6-15-7-8-16(12-18)17(11-15)20-10-9-19(5-2)14(3)13-20/h14-17H,4-13,18H2,1-3H3.
What are the key properties of [2-(4-ethyl-3-methylpiperazin-1-yl)-4-propylcyclohexyl]methanamine?
[2-(4-ethyl-3-methylpiperazin-1-yl)-4-propylcyclohexyl]methanamine has a molecular weight of 281.49 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethyl-3-methylpiperazin-1-yl)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 63603329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).