(3,5-dimethylcyclohexyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine

C18H34N2 — CID 79060568

IUPAC(3,5-dimethylcyclohexyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
SMILESCC1CC(C)CC(C(N)C2(N3CCCC3)CCCC2)C1
InChIInChI=1S/C18H34N2/c1-14-11-15(2)13-16(12-14)17(19)18(7-3-4-8-18)20-9-5-6-10-20/h14-17H,3-13,19H2,1-2H3
InChIKeyRBCCTGYEYXDSJQ-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.79
Rot. Bonds3

About (3,5-dimethylcyclohexyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine

(3,5-dimethylcyclohexyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine (PubChem CID 79060568) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
PubChem CID79060568
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name(3,5-dimethylcyclohexyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
SMILESCC1CC(C)CC(C(N)C2(N3CCCC3)CCCC2)C1
InChIInChI=1S/C18H34N2/c1-14-11-15(2)13-16(12-14)17(19)18(7-3-4-8-18)20-9-5-6-10-20/h14-17H,3-13,19H2,1-2H3
InChIKeyRBCCTGYEYXDSJQ-UHFFFAOYSA-N
XLogP3.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylcyclohexyl)-(1-methoxycyclopentyl)methanamine
CID 104610627
1-[amino-(3,5-dimethylcyclohexyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070124
2-propan-2-yloxy-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
CID 79568584
1-(1-pyrrolidin-1-ylcyclobutyl)ethanamine
CID 115013494
(4-methylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanol
CID 79057217
N-methyl-1-(4-methylcyclohexyl)-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine
CID 79057963
2-ethoxy-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
CID 79568585
1-(3,4-dimethylcyclohexyl)-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine
CID 79057711
1-(1-piperidin-1-ylcyclopentyl)pentan-1-amine
CID 79057744
(2,2-dimethylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine
CID 107189180
2-cyclopentyl-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
CID 79058715
1-(1-piperidin-1-ylcyclopentyl)heptan-1-amine
CID 79057989

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine?
The IUPAC name of (3,5-dimethylcyclohexyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine (CID 79060568) is (3,5-dimethylcyclohexyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine.
What is the SMILES notation for (3,5-dimethylcyclohexyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine?
The canonical SMILES for (3,5-dimethylcyclohexyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine is CC1CC(C)CC(C(N)C2(N3CCCC3)CCCC2)C1.
What is the InChIKey of (3,5-dimethylcyclohexyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine?
The InChIKey is RBCCTGYEYXDSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-14-11-15(2)13-16(12-14)17(19)18(7-3-4-8-18)20-9-5-6-10-20/h14-17H,3-13,19H2,1-2H3.
What are the key properties of (3,5-dimethylcyclohexyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine?
(3,5-dimethylcyclohexyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine has a molecular weight of 278.48 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine is sourced from PubChem (CID 79060568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).