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

C16H34N2O — CID 79867198

IUPAC2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-propylamino]ethanol
SMILESCCCNC1C(CN(CCC)CCO)CCC1(C)C
InChIInChI=1S/C16H34N2O/c1-5-9-17-15-14(7-8-16(15,3)4)13-18(10-6-2)11-12-19/h14-15,17,19H,5-13H2,1-4H3
InChIKeyCILTVBBNSSNALU-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.50
Rot. Bonds9

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

2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-propylamino]ethanol (PubChem CID 79867198) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-propylamino]ethanol
PubChem CID79867198
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-propylamino]ethanol
SMILESCCCNC1C(CN(CCC)CCO)CCC1(C)C
InChIInChI=1S/C16H34N2O/c1-5-9-17-15-14(7-8-16(15,3)4)13-18(10-6-2)11-12-19/h14-15,17,19H,5-13H2,1-4H3
InChIKeyCILTVBBNSSNALU-UHFFFAOYSA-N
XLogP2.50
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butyl-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl]amino]ethanol
CID 79867195
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
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
6-[[cyclopropyl(propyl)amino]methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79853092
N-ethyl-6-[[ethyl(propyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79853175
[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
5-[[butyl(methyl)amino]methyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79867055
2-[2-hydroxyethyl-[[5-propyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 62610825

Frequently Asked Questions

What is the IUPAC name of 2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-propylamino]ethanol?
The IUPAC name of 2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-propylamino]ethanol (CID 79867198) is 2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-propylamino]ethanol.
What is the SMILES notation for 2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-propylamino]ethanol?
The canonical SMILES for 2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-propylamino]ethanol is CCCNC1C(CN(CCC)CCO)CCC1(C)C.
What is the InChIKey of 2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-propylamino]ethanol?
The InChIKey is CILTVBBNSSNALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-9-17-15-14(7-8-16(15,3)4)13-18(10-6-2)11-12-19/h14-15,17,19H,5-13H2,1-4H3.
What are the key properties of 2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-propylamino]ethanol?
2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-propylamino]ethanol has a molecular weight of 270.46 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-propylamino]ethanol is sourced from PubChem (CID 79867198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).