2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-methylamino]propan-1-ol

C15H32N2O — CID 104554576

IUPAC2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-methylamino]propan-1-ol
SMILESCCCNC1C(CN(C)C(C)CO)CCC1(C)C
InChIInChI=1S/C15H32N2O/c1-6-9-16-14-13(7-8-15(14,3)4)10-17(5)12(2)11-18/h12-14,16,18H,6-11H2,1-5H3
InChIKeyAISWJDJWVPRSTB-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.10
Rot. Bonds7

About 2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-methylamino]propan-1-ol

2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-methylamino]propan-1-ol (PubChem CID 104554576) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-methylamino]propan-1-ol
PubChem CID104554576
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-methylamino]propan-1-ol
SMILESCCCNC1C(CN(C)C(C)CO)CCC1(C)C
InChIInChI=1S/C15H32N2O/c1-6-9-16-14-13(7-8-15(14,3)4)10-17(5)12(2)11-18/h12-14,16,18H,6-11H2,1-5H3
InChIKeyAISWJDJWVPRSTB-UHFFFAOYSA-N
XLogP2.10
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl-methylamino]propan-1-ol
CID 104554577
1-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-methylamino]propan-2-ol
CID 79855488
2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-propylamino]ethanol
CID 79867198
5-[[cyclopentylmethyl(methyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79855876
2-[butyl-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl]amino]ethanol
CID 79867195
N-ethyl-2,2-dimethyl-6-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine
CID 79853183
5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79867191
N-ethyl-2,2-dimethyl-5-[[methyl(2-methylbutyl)amino]methyl]cyclopentan-1-amine
CID 79865601
N'-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 79849117
2,2-dimethyl-6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 79853529
[1-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl]piperidin-4-yl]methanol
CID 79866549
5-[[butyl(methyl)amino]methyl]-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79867055

Frequently Asked Questions

What is the IUPAC name of 2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-methylamino]propan-1-ol?
The IUPAC name of 2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-methylamino]propan-1-ol (CID 104554576) is 2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-methylamino]propan-1-ol.
What is the SMILES notation for 2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-methylamino]propan-1-ol?
The canonical SMILES for 2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-methylamino]propan-1-ol is CCCNC1C(CN(C)C(C)CO)CCC1(C)C.
What is the InChIKey of 2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-methylamino]propan-1-ol?
The InChIKey is AISWJDJWVPRSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-6-9-16-14-13(7-8-15(14,3)4)10-17(5)12(2)11-18/h12-14,16,18H,6-11H2,1-5H3.
What are the key properties of 2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-methylamino]propan-1-ol?
2-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl-methylamino]propan-1-ol has a molecular weight of 256.43 g/mol, XLogP of 2.10, 7 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-methylamino]propan-1-ol is sourced from PubChem (CID 104554576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).