N-methyl-1-(4-methylcyclohexyl)-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine

C18H34N2 — CID 79057963

IUPACN-methyl-1-(4-methylcyclohexyl)-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine
SMILESCNC(C1CCC(C)CC1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C18H34N2/c1-15-7-9-16(10-8-15)17(19-2)18(11-3-4-12-18)20-13-5-6-14-20/h15-17,19H,3-14H2,1-2H3
InChIKeyQKAPUHOSJCTHED-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.81
Rot. Bonds4

About N-methyl-1-(4-methylcyclohexyl)-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine

N-methyl-1-(4-methylcyclohexyl)-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine (PubChem CID 79057963) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is N-methyl-1-(4-methylcyclohexyl)-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylcyclohexyl)-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine
PubChem CID79057963
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC NameN-methyl-1-(4-methylcyclohexyl)-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine
SMILESCNC(C1CCC(C)CC1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C18H34N2/c1-15-7-9-16(10-8-15)17(19-2)18(11-3-4-12-18)20-13-5-6-14-20/h15-17,19H,3-14H2,1-2H3
InChIKeyQKAPUHOSJCTHED-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylcyclohexyl)-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine?
The IUPAC name of N-methyl-1-(4-methylcyclohexyl)-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine (CID 79057963) is N-methyl-1-(4-methylcyclohexyl)-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine.
What is the SMILES notation for N-methyl-1-(4-methylcyclohexyl)-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine?
The canonical SMILES for N-methyl-1-(4-methylcyclohexyl)-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine is CNC(C1CCC(C)CC1)C1(N2CCCC2)CCCC1.
What is the InChIKey of N-methyl-1-(4-methylcyclohexyl)-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine?
The InChIKey is QKAPUHOSJCTHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-15-7-9-16(10-8-15)17(19-2)18(11-3-4-12-18)20-13-5-6-14-20/h15-17,19H,3-14H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylcyclohexyl)-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine?
N-methyl-1-(4-methylcyclohexyl)-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine has a molecular weight of 278.48 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylcyclohexyl)-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine is sourced from PubChem (CID 79057963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).