3-(2-ethyl-5-methylpyrrolidin-1-yl)heptan-4-ol

C14H29NO — CID 83221502

IUPAC3-(2-ethyl-5-methylpyrrolidin-1-yl)heptan-4-ol
SMILESCCCC(O)C(CC)N1C(C)CCC1CC
InChIInChI=1S/C14H29NO/c1-5-8-14(16)13(7-3)15-11(4)9-10-12(15)6-2/h11-14,16H,5-10H2,1-4H3
InChIKeyHQUVYBTWUXNPNN-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.19
Rot. Bonds6

About 3-(2-ethyl-5-methylpyrrolidin-1-yl)heptan-4-ol

3-(2-ethyl-5-methylpyrrolidin-1-yl)heptan-4-ol (PubChem CID 83221502) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-(2-ethyl-5-methylpyrrolidin-1-yl)heptan-4-ol.

Molecular Properties

Compound Name3-(2-ethyl-5-methylpyrrolidin-1-yl)heptan-4-ol
PubChem CID83221502
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-(2-ethyl-5-methylpyrrolidin-1-yl)heptan-4-ol
SMILESCCCC(O)C(CC)N1C(C)CCC1CC
InChIInChI=1S/C14H29NO/c1-5-8-14(16)13(7-3)15-11(4)9-10-12(15)6-2/h11-14,16H,5-10H2,1-4H3
InChIKeyHQUVYBTWUXNPNN-UHFFFAOYSA-N
XLogP3.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethyl-5-methylpyrrolidin-1-yl)butanoic acid
CID 83219071
3-(2,4-dimethylpiperidin-1-yl)heptan-4-ol
CID 62330383
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine
CID 83221154
N-tert-butyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)pentan-1-amine
CID 83221318
3-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methoxybutan-1-ol
CID 114357593
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N'-hydroxybutanimidamide
CID 83227306
2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pentan-1-amine
CID 83219988
2-(2-ethyl-5-methylpyrrolidin-1-yl)propanehydrazide
CID 83223630
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 83221715
N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)butan-2-amine
CID 83228255
3-(2-ethyl-5-methylpyrrolidin-1-yl)butanenitrile
CID 83227916
N-[2-(2-ethyl-5-methylpyrrolidin-1-yl)propyl]butan-1-amine
CID 83221408

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5-methylpyrrolidin-1-yl)heptan-4-ol?
The IUPAC name of 3-(2-ethyl-5-methylpyrrolidin-1-yl)heptan-4-ol (CID 83221502) is 3-(2-ethyl-5-methylpyrrolidin-1-yl)heptan-4-ol.
What is the SMILES notation for 3-(2-ethyl-5-methylpyrrolidin-1-yl)heptan-4-ol?
The canonical SMILES for 3-(2-ethyl-5-methylpyrrolidin-1-yl)heptan-4-ol is CCCC(O)C(CC)N1C(C)CCC1CC.
What is the InChIKey of 3-(2-ethyl-5-methylpyrrolidin-1-yl)heptan-4-ol?
The InChIKey is HQUVYBTWUXNPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-8-14(16)13(7-3)15-11(4)9-10-12(15)6-2/h11-14,16H,5-10H2,1-4H3.
What are the key properties of 3-(2-ethyl-5-methylpyrrolidin-1-yl)heptan-4-ol?
3-(2-ethyl-5-methylpyrrolidin-1-yl)heptan-4-ol has a molecular weight of 227.39 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5-methylpyrrolidin-1-yl)heptan-4-ol is sourced from PubChem (CID 83221502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).