5-[[cyclopentylmethyl(methyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine

C18H36N2 — CID 79855876

IUPAC5-[[cyclopentylmethyl(methyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine
SMILESCCCNC1C(CN(C)CC2CCCC2)CCC1(C)C
InChIInChI=1S/C18H36N2/c1-5-12-19-17-16(10-11-18(17,2)3)14-20(4)13-15-8-6-7-9-15/h15-17,19H,5-14H2,1-4H3
InChIKeyLQPLUYSLBIYCMT-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.91
Rot. Bonds7

About 5-[[cyclopentylmethyl(methyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine

5-[[cyclopentylmethyl(methyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine (PubChem CID 79855876) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 5-[[cyclopentylmethyl(methyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name5-[[cyclopentylmethyl(methyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine
PubChem CID79855876
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name5-[[cyclopentylmethyl(methyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine
SMILESCCCNC1C(CN(C)CC2CCCC2)CCC1(C)C
InChIInChI=1S/C18H36N2/c1-5-12-19-17-16(10-11-18(17,2)3)14-20(4)13-15-8-6-7-9-15/h15-17,19H,5-14H2,1-4H3
InChIKeyLQPLUYSLBIYCMT-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-methylamino]propan-2-ol
CID 79855488
N'-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 79849117
2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-methylamino]propan-1-ol
CID 104554576
3-[[[2-(ethylamino)-3,3-dimethylcyclopentyl]methyl-methylamino]methyl]cyclobutan-1-ol
CID 79855728
6-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79843316
2,2-dimethyl-6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 79853529
2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-propylamino]ethanol
CID 79867198
5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79867191
5-[[butyl(methyl)amino]methyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79867055
1-N-(cyclobutylmethyl)-1-N-ethyl-3,3-dimethyl-2-N-propylcyclohexane-1,2-diamine
CID 107398176
N-ethyl-2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-amine
CID 79865601
2-[butyl-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl]amino]ethanol
CID 79867195

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopentylmethyl(methyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine?
The IUPAC name of 5-[[cyclopentylmethyl(methyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine (CID 79855876) is 5-[[cyclopentylmethyl(methyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 5-[[cyclopentylmethyl(methyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 5-[[cyclopentylmethyl(methyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine is CCCNC1C(CN(C)CC2CCCC2)CCC1(C)C.
What is the InChIKey of 5-[[cyclopentylmethyl(methyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine?
The InChIKey is LQPLUYSLBIYCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-12-19-17-16(10-11-18(17,2)3)14-20(4)13-15-8-6-7-9-15/h15-17,19H,5-14H2,1-4H3.
What are the key properties of 5-[[cyclopentylmethyl(methyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine?
5-[[cyclopentylmethyl(methyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopentylmethyl(methyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79855876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).