2,4-dimethyl-2-pyrrolidin-1-ylheptan-3-ol

C13H27NO — CID 107892960

IUPAC2,4-dimethyl-2-pyrrolidin-1-ylheptan-3-ol
SMILESCCCC(C)C(O)C(C)(C)N1CCCC1
InChIInChI=1S/C13H27NO/c1-5-8-11(2)12(15)13(3,4)14-9-6-7-10-14/h11-12,15H,5-10H2,1-4H3
InChIKeyZLGLDNXLZVXLJR-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.66
Rot. Bonds5

About 2,4-dimethyl-2-pyrrolidin-1-ylheptan-3-ol

2,4-dimethyl-2-pyrrolidin-1-ylheptan-3-ol (PubChem CID 107892960) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2,4-dimethyl-2-pyrrolidin-1-ylheptan-3-ol.

Molecular Properties

Compound Name2,4-dimethyl-2-pyrrolidin-1-ylheptan-3-ol
PubChem CID107892960
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2,4-dimethyl-2-pyrrolidin-1-ylheptan-3-ol
SMILESCCCC(C)C(O)C(C)(C)N1CCCC1
InChIInChI=1S/C13H27NO/c1-5-8-11(2)12(15)13(3,4)14-9-6-7-10-14/h11-12,15H,5-10H2,1-4H3
InChIKeyZLGLDNXLZVXLJR-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-Ethyl-1-methylpyrrolidin-2-yl)methanol
CID 71757811
[(2S,4R)-4-fluoro-1-methyl-2-propylpyrrolidin-2-yl]methanol
CID 164878972
(3S,4S)-4-fluoro-1-(4-methyldecan-4-yl)pyrrolidin-3-ol
CID 167308408
(2R,3S,4S)-1-tert-butyl-4-fluoro-2-(2-methylbutan-2-yl)pyrrolidin-3-ol
CID 169667021
1-(1,2-Dimethylpyrrolidin-2-yl)-3,3,3-trifluoropropan-1-ol
CID 172308746
[(2S)-1-(2,2-dimethylpropyl)-2-ethylpyrrolidin-2-yl]methanol
CID 135037287
5-Ethyl-1,1,1-trifluoro-5-pyrrolidin-1-ylheptan-4-ol
CID 79067574
1,1,1-Trifluoro-5-methyl-5-pyrrolidin-1-ylheptan-4-ol
CID 79068937
(3R,5S)-1-(2-fluoroethyl)-5-propan-2-ylpyrrolidin-3-ol
CID 99995533
(3R,5R)-1-(2-fluoroethyl)-5-propan-2-ylpyrrolidin-3-ol
CID 99995536
(3S,5S)-1-(2-fluoroethyl)-5-propan-2-ylpyrrolidin-3-ol
CID 99995541
(3S,5R)-1-(2-fluoroethyl)-5-propan-2-ylpyrrolidin-3-ol
CID 99995545

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-pyrrolidin-1-ylheptan-3-ol?
The IUPAC name of 2,4-dimethyl-2-pyrrolidin-1-ylheptan-3-ol (CID 107892960) is 2,4-dimethyl-2-pyrrolidin-1-ylheptan-3-ol.
What is the SMILES notation for 2,4-dimethyl-2-pyrrolidin-1-ylheptan-3-ol?
The canonical SMILES for 2,4-dimethyl-2-pyrrolidin-1-ylheptan-3-ol is CCCC(C)C(O)C(C)(C)N1CCCC1.
What is the InChIKey of 2,4-dimethyl-2-pyrrolidin-1-ylheptan-3-ol?
The InChIKey is ZLGLDNXLZVXLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-8-11(2)12(15)13(3,4)14-9-6-7-10-14/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 2,4-dimethyl-2-pyrrolidin-1-ylheptan-3-ol?
2,4-dimethyl-2-pyrrolidin-1-ylheptan-3-ol has a molecular weight of 213.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-pyrrolidin-1-ylheptan-3-ol is sourced from PubChem (CID 107892960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).