[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

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

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Related Compounds

[1-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429031
[4-propan-2-yl-1-(4-propylpiperazin-1-yl)cycloheptyl]methanamine
CID 65091150
[1-(3-ethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429133
[3-(2-methylpropyl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 107428957
[3-(2-methylpropyl)-1-(1,4-oxazepan-4-yl)cyclohexyl]methanamine
CID 107429027
[1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429099
1-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N,N-dimethylpyrrolidin-3-amine
CID 107429032
[1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429059
[1-(2-ethylpiperidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107428917
2-[1-(4-methylpiperazin-1-yl)-3-(2-methylpropyl)cyclohexyl]acetic acid
CID 107430404
[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429063
[1-(4-ethylpiperazin-1-yl)-3-propan-2-ylcyclohexyl]methanamine
CID 107448927

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).