2-[(1,5-dimethylpyrrolidin-3-yl)amino]-3-methylpentan-1-ol

C12H26N2O — CID 115891683

IUPAC2-[(1,5-dimethylpyrrolidin-3-yl)amino]-3-methylpentan-1-ol
SMILESCCC(C)C(CO)NC1CC(C)N(C)C1
InChIInChI=1S/C12H26N2O/c1-5-9(2)12(8-15)13-11-6-10(3)14(4)7-11/h9-13,15H,5-8H2,1-4H3
InChIKeyWPJMHMDAZUCEOY-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.08
Rot. Bonds5

About 2-[(1,5-dimethylpyrrolidin-3-yl)amino]-3-methylpentan-1-ol

2-[(1,5-dimethylpyrrolidin-3-yl)amino]-3-methylpentan-1-ol (PubChem CID 115891683) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-[(1,5-dimethylpyrrolidin-3-yl)amino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(1,5-dimethylpyrrolidin-3-yl)amino]-3-methylpentan-1-ol
PubChem CID115891683
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-[(1,5-dimethylpyrrolidin-3-yl)amino]-3-methylpentan-1-ol
SMILESCCC(C)C(CO)NC1CC(C)N(C)C1
InChIInChI=1S/C12H26N2O/c1-5-9(2)12(8-15)13-11-6-10(3)14(4)7-11/h9-13,15H,5-8H2,1-4H3
InChIKeyWPJMHMDAZUCEOY-UHFFFAOYSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[2-[[(1S)-1-(Hydroxymethyl)propyl]amino]ethyl]-2-pyrrolidinemethanol
CID 44291449
(3-Methylpyrrolidin-2-yl)methanol
CID 19822527
(3-Ethylpyrrolidin-2-yl)methanol hydrochloride
CID 178199949
1-(3-Fluoropyrrolidin-1-yl)-2-[[hydroxy(methoxy)methyl]amino]-3-methylpentan-1-ol
CID 123492064
2-[Methyl-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol
CID 172334699
2-[Propan-2-yl-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol
CID 176601977
(s)-2-Methyl-2-[(pyrrolidin-2-ylmethyl)amino]propan-1-ol
CID 168266406
[1-(3-Amino-1,1,1-trifluoropropan-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102777672
[1-(3-Amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102777997
[1-(4-Amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102778107
[1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-3-methylpyrrolidin-2-yl]methanol
CID 103366487
2-[2,2-Difluoroethyl-(4-ethylpyrrolidin-3-yl)amino]ethanol
CID 107494942

Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethylpyrrolidin-3-yl)amino]-3-methylpentan-1-ol?
The IUPAC name of 2-[(1,5-dimethylpyrrolidin-3-yl)amino]-3-methylpentan-1-ol (CID 115891683) is 2-[(1,5-dimethylpyrrolidin-3-yl)amino]-3-methylpentan-1-ol.
What is the SMILES notation for 2-[(1,5-dimethylpyrrolidin-3-yl)amino]-3-methylpentan-1-ol?
The canonical SMILES for 2-[(1,5-dimethylpyrrolidin-3-yl)amino]-3-methylpentan-1-ol is CCC(C)C(CO)NC1CC(C)N(C)C1.
What is the InChIKey of 2-[(1,5-dimethylpyrrolidin-3-yl)amino]-3-methylpentan-1-ol?
The InChIKey is WPJMHMDAZUCEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-9(2)12(8-15)13-11-6-10(3)14(4)7-11/h9-13,15H,5-8H2,1-4H3.
What are the key properties of 2-[(1,5-dimethylpyrrolidin-3-yl)amino]-3-methylpentan-1-ol?
2-[(1,5-dimethylpyrrolidin-3-yl)amino]-3-methylpentan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethylpyrrolidin-3-yl)amino]-3-methylpentan-1-ol is sourced from PubChem (CID 115891683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).