[2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentyl]methanol

C15H31N3O — CID 79571423

IUPAC[2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentyl]methanol
SMILESCNC1(CO)CCCC1CCN1CCC(N(C)C)C1
InChIInChI=1S/C15H31N3O/c1-16-15(12-19)8-4-5-13(15)6-9-18-10-7-14(11-18)17(2)3/h13-14,16,19H,4-12H2,1-3H3
InChIKeyIJZHGNDMYXDBII-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.76
Rot. Bonds6

About [2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentyl]methanol

[2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentyl]methanol (PubChem CID 79571423) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is [2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentyl]methanol
PubChem CID79571423
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name[2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentyl]methanol
SMILESCNC1(CO)CCCC1CCN1CCC(N(C)C)C1
InChIInChI=1S/C15H31N3O/c1-16-15(12-19)8-4-5-13(15)6-9-18-10-7-14(11-18)17(2)3/h13-14,16,19H,4-12H2,1-3H3
InChIKeyIJZHGNDMYXDBII-UHFFFAOYSA-N
XLogP0.76
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-1-(methylamino)cyclopentyl]methanol
CID 79571164
[2-[2-(4-tert-butylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol
CID 79572951
[2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol
CID 79571011
[1-(methylamino)-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentyl]methanol
CID 79571001
[2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol
CID 103540797
2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79572991
[2-[2-(4,4-diethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol
CID 79573438
[2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-(methylamino)cyclopentyl]methanol
CID 79570958
[2-[2-(3-methylpyrrolidin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79571310
[2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79571574
[2-(2-piperidin-1-ylethyl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79571987
methyl 1-amino-2-[2-[3-(dimethylamino)piperidin-1-yl]ethyl]cyclopentane-1-carboxylate
CID 79572370

Frequently Asked Questions

What is the IUPAC name of [2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentyl]methanol?
The IUPAC name of [2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentyl]methanol (CID 79571423) is [2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentyl]methanol?
The canonical SMILES for [2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentyl]methanol is CNC1(CO)CCCC1CCN1CCC(N(C)C)C1.
What is the InChIKey of [2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentyl]methanol?
The InChIKey is IJZHGNDMYXDBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-16-15(12-19)8-4-5-13(15)6-9-18-10-7-14(11-18)17(2)3/h13-14,16,19H,4-12H2,1-3H3.
What are the key properties of [2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentyl]methanol?
[2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentyl]methanol has a molecular weight of 269.43 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentyl]methanol is sourced from PubChem (CID 79571423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).