2-[butyl-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl]amino]ethanol

C17H36N2O — CID 79867195

IUPAC2-[butyl-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl]amino]ethanol
SMILESCCCCN(CCO)CC1CCC(C)(C)C1NCCC
InChIInChI=1S/C17H36N2O/c1-5-7-11-19(12-13-20)14-15-8-9-17(3,4)16(15)18-10-6-2/h15-16,18,20H,5-14H2,1-4H3
InChIKeyRTWCGAGGRNRQII-UHFFFAOYSA-N
MW284.49 g/mol
LogP2.89
Rot. Bonds10

About 2-[butyl-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl]amino]ethanol

2-[butyl-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl]amino]ethanol (PubChem CID 79867195) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-[butyl-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl]amino]ethanol
PubChem CID79867195
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name2-[butyl-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl]amino]ethanol
SMILESCCCCN(CCO)CC1CCC(C)(C)C1NCCC
InChIInChI=1S/C17H36N2O/c1-5-7-11-19(12-13-20)14-15-8-9-17(3,4)16(15)18-10-6-2/h15-16,18,20H,5-14H2,1-4H3
InChIKeyRTWCGAGGRNRQII-UHFFFAOYSA-N
XLogP2.89
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-propylamino]ethanol
CID 79867198
2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-methylamino]propan-1-ol
CID 104554576
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-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-methylamino]propan-2-ol
CID 79855488
5-[[cyclopentylmethyl(methyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79855876
[1-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl]piperidin-4-yl]methanol
CID 79866549
N'-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 79849117
2-[1-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl]piperidin-2-yl]ethanol
CID 79866086
6-[[cyclopropyl(propyl)amino]methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79853092
2-[butyl-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 64735248
5-[[butyl(2-hydroxyethyl)amino]methyl]-2,2-dimethylcyclopentan-1-one
CID 79867021

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl]amino]ethanol?
The IUPAC name of 2-[butyl-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl]amino]ethanol (CID 79867195) is 2-[butyl-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl]amino]ethanol?
The canonical SMILES for 2-[butyl-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl]amino]ethanol is CCCCN(CCO)CC1CCC(C)(C)C1NCCC.
What is the InChIKey of 2-[butyl-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl]amino]ethanol?
The InChIKey is RTWCGAGGRNRQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-5-7-11-19(12-13-20)14-15-8-9-17(3,4)16(15)18-10-6-2/h15-16,18,20H,5-14H2,1-4H3.
What are the key properties of 2-[butyl-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl]amino]ethanol?
2-[butyl-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl]amino]ethanol has a molecular weight of 284.49 g/mol, XLogP of 2.89, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl]amino]ethanol is sourced from PubChem (CID 79867195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).