1-[(1,5-dimethylpyrrolidin-3-yl)amino]-4-methylpentan-3-ol

C12H26N2O — CID 115723479

IUPAC1-[(1,5-dimethylpyrrolidin-3-yl)amino]-4-methylpentan-3-ol
SMILESCC(C)C(O)CCNC1CC(C)N(C)C1
InChIInChI=1S/C12H26N2O/c1-9(2)12(15)5-6-13-11-7-10(3)14(4)8-11/h9-13,15H,5-8H2,1-4H3
InChIKeyUSCKRBHIYUBZNS-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.08
Rot. Bonds5

About 1-[(1,5-dimethylpyrrolidin-3-yl)amino]-4-methylpentan-3-ol

1-[(1,5-dimethylpyrrolidin-3-yl)amino]-4-methylpentan-3-ol (PubChem CID 115723479) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrrolidin-3-yl)amino]-4-methylpentan-3-ol.

Molecular Properties

Compound Name1-[(1,5-dimethylpyrrolidin-3-yl)amino]-4-methylpentan-3-ol
PubChem CID115723479
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-[(1,5-dimethylpyrrolidin-3-yl)amino]-4-methylpentan-3-ol
SMILESCC(C)C(O)CCNC1CC(C)N(C)C1
InChIInChI=1S/C12H26N2O/c1-9(2)12(15)5-6-13-11-7-10(3)14(4)8-11/h9-13,15H,5-8H2,1-4H3
InChIKeyUSCKRBHIYUBZNS-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-[(1,5-dimethylpyrrolidin-3-yl)amino]propan-2-ol
CID 103906633
1,5-dimethyl-N-(3-phenylbutyl)pyrrolidin-3-amine
CID 81333598
N-decyl-1,5-dimethylpyrrolidin-3-amine
CID 81467256
1-cyclopentyl-2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethanol
CID 115890584
N-(2,2-difluoroethyl)-1,5-dimethylpyrrolidin-3-amine
CID 115406076
N-(2-methoxypropyl)-1,5-dimethylpyrrolidin-3-amine
CID 102696242
3-[2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethylsulfanyl]propan-1-ol
CID 115717842
1-(dimethylamino)-3-[(1,5-dimethylpyrrolidin-3-yl)amino]propan-2-ol
CID 115718067
3-[(1,5-dimethylpyrrolidin-3-yl)amino]-2-hydroxypropanamide
CID 106171661
N-(5-methoxypentyl)-1,5-dimethylpyrrolidin-3-amine
CID 115714830
2-[(1,5-dimethylpyrrolidin-3-yl)amino]ethanesulfonamide
CID 81466039
1,5-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)pyrrolidin-3-amine
CID 81344474

Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylpyrrolidin-3-yl)amino]-4-methylpentan-3-ol?
The IUPAC name of 1-[(1,5-dimethylpyrrolidin-3-yl)amino]-4-methylpentan-3-ol (CID 115723479) is 1-[(1,5-dimethylpyrrolidin-3-yl)amino]-4-methylpentan-3-ol.
What is the SMILES notation for 1-[(1,5-dimethylpyrrolidin-3-yl)amino]-4-methylpentan-3-ol?
The canonical SMILES for 1-[(1,5-dimethylpyrrolidin-3-yl)amino]-4-methylpentan-3-ol is CC(C)C(O)CCNC1CC(C)N(C)C1.
What is the InChIKey of 1-[(1,5-dimethylpyrrolidin-3-yl)amino]-4-methylpentan-3-ol?
The InChIKey is USCKRBHIYUBZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-9(2)12(15)5-6-13-11-7-10(3)14(4)8-11/h9-13,15H,5-8H2,1-4H3.
What are the key properties of 1-[(1,5-dimethylpyrrolidin-3-yl)amino]-4-methylpentan-3-ol?
1-[(1,5-dimethylpyrrolidin-3-yl)amino]-4-methylpentan-3-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 1-[(1,5-dimethylpyrrolidin-3-yl)amino]-4-methylpentan-3-ol is sourced from PubChem (CID 115723479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).