[2,5-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine

C18H35N3 — CID 64763152

IUPAC[2,5-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine
SMILESCC1CCC(C)C(CN)(N2CCC(N3CCCCC3)C2)C1
InChIInChI=1S/C18H35N3/c1-15-6-7-16(2)18(12-15,14-19)21-11-8-17(13-21)20-9-4-3-5-10-20/h15-17H,3-14,19H2,1-2H3
InChIKeyUYSQDKCYPPHLET-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.70
Rot. Bonds3

About [2,5-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine

[2,5-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine (PubChem CID 64763152) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is [2,5-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2,5-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine
PubChem CID64763152
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name[2,5-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine
SMILESCC1CCC(C)C(CN)(N2CCC(N3CCCCC3)C2)C1
InChIInChI=1S/C18H35N3/c1-15-6-7-16(2)18(12-15,14-19)21-11-8-17(13-21)20-9-4-3-5-10-20/h15-17H,3-14,19H2,1-2H3
InChIKeyUYSQDKCYPPHLET-UHFFFAOYSA-N
XLogP2.70
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)cyclopentyl]methanamine
CID 64501577
[2,5-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanamine
CID 64761755
[1-(4-ethylpiperidin-1-yl)-2,5-dimethylcyclohexyl]methanamine
CID 64762341
[2,5-dimethyl-1-(2-methylmorpholin-4-yl)cyclohexyl]methanamine
CID 64760139
[2,5-dimethyl-1-(4-methylsulfanylpiperidin-1-yl)cyclohexyl]methanamine
CID 114236814
[2,5-dimethyl-1-(3,4,5-trimethylpiperazin-1-yl)cyclohexyl]methanamine
CID 114537518
[1-(3-piperidin-1-ylpyrrolidin-1-yl)cyclopropyl]methanamine
CID 106661223
[2,5-dimethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine
CID 64761949
[2-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 106872497
[2,5-dimethyl-1-(2-methylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 64760563
[1-(4-ethyl-4-methylpiperidin-1-yl)-2,5-dimethylcyclohexyl]methanamine
CID 64763143
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-methylcyclohexyl]methanamine
CID 79941371

Frequently Asked Questions

What is the IUPAC name of [2,5-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine?
The IUPAC name of [2,5-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine (CID 64763152) is [2,5-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [2,5-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [2,5-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine is CC1CCC(C)C(CN)(N2CCC(N3CCCCC3)C2)C1.
What is the InChIKey of [2,5-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine?
The InChIKey is UYSQDKCYPPHLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-15-6-7-16(2)18(12-15,14-19)21-11-8-17(13-21)20-9-4-3-5-10-20/h15-17H,3-14,19H2,1-2H3.
What are the key properties of [2,5-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine?
[2,5-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine has a molecular weight of 293.50 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 64763152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).