1-(4,4-dimethylheptyl)pyrrolidin-3-ol

C13H27NO — CID 167001704

IUPAC1-(4,4-dimethylheptyl)pyrrolidin-3-ol
SMILESCCCC(C)(C)CCCN1CCC(O)C1
InChIInChI=1S/C13H27NO/c1-4-7-13(2,3)8-5-9-14-10-6-12(15)11-14/h12,15H,4-11H2,1-3H3
InChIKeyMOASKATXCVHTIA-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.66
Rot. Bonds6

About 1-(4,4-dimethylheptyl)pyrrolidin-3-ol

1-(4,4-dimethylheptyl)pyrrolidin-3-ol (PubChem CID 167001704) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-(4,4-dimethylheptyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(4,4-dimethylheptyl)pyrrolidin-3-ol
PubChem CID167001704
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-(4,4-dimethylheptyl)pyrrolidin-3-ol
SMILESCCCC(C)(C)CCCN1CCC(O)C1
InChIInChI=1S/C13H27NO/c1-4-7-13(2,3)8-5-9-14-10-6-12(15)11-14/h12,15H,4-11H2,1-3H3
InChIKeyMOASKATXCVHTIA-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylheptyl)pyrrolidin-3-ol?
The IUPAC name of 1-(4,4-dimethylheptyl)pyrrolidin-3-ol (CID 167001704) is 1-(4,4-dimethylheptyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(4,4-dimethylheptyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(4,4-dimethylheptyl)pyrrolidin-3-ol is CCCC(C)(C)CCCN1CCC(O)C1.
What is the InChIKey of 1-(4,4-dimethylheptyl)pyrrolidin-3-ol?
The InChIKey is MOASKATXCVHTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-7-13(2,3)8-5-9-14-10-6-12(15)11-14/h12,15H,4-11H2,1-3H3.
What are the key properties of 1-(4,4-dimethylheptyl)pyrrolidin-3-ol?
1-(4,4-dimethylheptyl)pyrrolidin-3-ol has a molecular weight of 213.36 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylheptyl)pyrrolidin-3-ol is sourced from PubChem (CID 167001704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).