[3-(2-methylpropyl)-1-(4-propylpiperazin-1-yl)cyclohexyl]methanamine

C18H37N3 — CID 107428904

IUPAC[3-(2-methylpropyl)-1-(4-propylpiperazin-1-yl)cyclohexyl]methanamine
SMILESCCCN1CCN(C2(CN)CCCC(CC(C)C)C2)CC1
InChIInChI=1S/C18H37N3/c1-4-8-20-9-11-21(12-10-20)18(15-19)7-5-6-17(14-18)13-16(2)3/h16-17H,4-15,19H2,1-3H3
InChIKeyMQAMTFYJGYIOPM-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.95
Rot. Bonds6

About [3-(2-methylpropyl)-1-(4-propylpiperazin-1-yl)cyclohexyl]methanamine

[3-(2-methylpropyl)-1-(4-propylpiperazin-1-yl)cyclohexyl]methanamine (PubChem CID 107428904) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is [3-(2-methylpropyl)-1-(4-propylpiperazin-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[3-(2-methylpropyl)-1-(4-propylpiperazin-1-yl)cyclohexyl]methanamine
PubChem CID107428904
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name[3-(2-methylpropyl)-1-(4-propylpiperazin-1-yl)cyclohexyl]methanamine
SMILESCCCN1CCN(C2(CN)CCCC(CC(C)C)C2)CC1
InChIInChI=1S/C18H37N3/c1-4-8-20-9-11-21(12-10-20)18(15-19)7-5-6-17(14-18)13-16(2)3/h16-17H,4-15,19H2,1-3H3
InChIKeyMQAMTFYJGYIOPM-UHFFFAOYSA-N
XLogP2.95
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)-1-(4-propylpiperazin-1-yl)cyclohexyl]methanamine?
The IUPAC name of [3-(2-methylpropyl)-1-(4-propylpiperazin-1-yl)cyclohexyl]methanamine (CID 107428904) is [3-(2-methylpropyl)-1-(4-propylpiperazin-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [3-(2-methylpropyl)-1-(4-propylpiperazin-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [3-(2-methylpropyl)-1-(4-propylpiperazin-1-yl)cyclohexyl]methanamine is CCCN1CCN(C2(CN)CCCC(CC(C)C)C2)CC1.
What is the InChIKey of [3-(2-methylpropyl)-1-(4-propylpiperazin-1-yl)cyclohexyl]methanamine?
The InChIKey is MQAMTFYJGYIOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-4-8-20-9-11-21(12-10-20)18(15-19)7-5-6-17(14-18)13-16(2)3/h16-17H,4-15,19H2,1-3H3.
What are the key properties of [3-(2-methylpropyl)-1-(4-propylpiperazin-1-yl)cyclohexyl]methanamine?
[3-(2-methylpropyl)-1-(4-propylpiperazin-1-yl)cyclohexyl]methanamine has a molecular weight of 295.51 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)-1-(4-propylpiperazin-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 107428904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).