[(2R)-1-[4-[[(1R)-2,2-dimethylcyclopentyl]amino]butyl]pyrrolidin-2-yl]methanol

C16H32N2O — CID 97231893

IUPAC[(2R)-1-[4-[[(1R)-2,2-dimethylcyclopentyl]amino]butyl]pyrrolidin-2-yl]methanol
SMILESCC1(C)CCC[C@H]1NCCCCN1CCC[C@@H]1CO
InChIInChI=1S/C16H32N2O/c1-16(2)9-5-8-15(16)17-10-3-4-11-18-12-6-7-14(18)13-19/h14-15,17,19H,3-13H2,1-2H3/t14-,15-/m1/s1
InChIKeySUFMYYOJDFABPR-HUUCEWRRSA-N
MW268.44 g/mol
LogP2.39
Rot. Bonds7

About [(2R)-1-[4-[[(1R)-2,2-dimethylcyclopentyl]amino]butyl]pyrrolidin-2-yl]methanol

[(2R)-1-[4-[[(1R)-2,2-dimethylcyclopentyl]amino]butyl]pyrrolidin-2-yl]methanol (PubChem CID 97231893) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is [(2R)-1-[4-[[(1R)-2,2-dimethylcyclopentyl]amino]butyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[4-[[(1R)-2,2-dimethylcyclopentyl]amino]butyl]pyrrolidin-2-yl]methanol
PubChem CID97231893
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name[(2R)-1-[4-[[(1R)-2,2-dimethylcyclopentyl]amino]butyl]pyrrolidin-2-yl]methanol
SMILESCC1(C)CCC[C@H]1NCCCCN1CCC[C@@H]1CO
InChIInChI=1S/C16H32N2O/c1-16(2)9-5-8-15(16)17-10-3-4-11-18-12-6-7-14(18)13-19/h14-15,17,19H,3-13H2,1-2H3/t14-,15-/m1/s1
InChIKeySUFMYYOJDFABPR-HUUCEWRRSA-N
XLogP2.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[4-(cycloheptylamino)butyl]pyrrolidin-2-yl]methanol
CID 111114732
3-[(2,2-dimethylcyclopentyl)amino]propan-1-ol
CID 79865194
[1-[4-(propan-2-ylamino)butyl]pyrrolidin-2-yl]methanol
CID 115905715
[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol
CID 111448331
(1-dodecylpyrrolidin-2-yl)methanol
CID 63468146
[(2R)-1-heptylpyrrolidin-2-yl]methanol
CID 64982587
[(2S)-1-decylpyrrolidin-2-yl]methanol
CID 79003239
N-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 110012441
4-[(2,2-dimethylcyclopentyl)amino]butan-2-one
CID 145476658
ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 143249605
tert-butyl 2-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]pyrrolidine-1-carboxylate
CID 107244393
[1-[(2-amino-3,3-dimethylcyclohexyl)methyl]pyrrolidin-2-yl]methanol
CID 79849186

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-[[(1R)-2,2-dimethylcyclopentyl]amino]butyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[4-[[(1R)-2,2-dimethylcyclopentyl]amino]butyl]pyrrolidin-2-yl]methanol (CID 97231893) is [(2R)-1-[4-[[(1R)-2,2-dimethylcyclopentyl]amino]butyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[4-[[(1R)-2,2-dimethylcyclopentyl]amino]butyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[4-[[(1R)-2,2-dimethylcyclopentyl]amino]butyl]pyrrolidin-2-yl]methanol is CC1(C)CCC[C@H]1NCCCCN1CCC[C@@H]1CO.
What is the InChIKey of [(2R)-1-[4-[[(1R)-2,2-dimethylcyclopentyl]amino]butyl]pyrrolidin-2-yl]methanol?
The InChIKey is SUFMYYOJDFABPR-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H32N2O/c1-16(2)9-5-8-15(16)17-10-3-4-11-18-12-6-7-14(18)13-19/h14-15,17,19H,3-13H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of [(2R)-1-[4-[[(1R)-2,2-dimethylcyclopentyl]amino]butyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[4-[[(1R)-2,2-dimethylcyclopentyl]amino]butyl]pyrrolidin-2-yl]methanol has a molecular weight of 268.44 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[4-[[(1R)-2,2-dimethylcyclopentyl]amino]butyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 97231893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).