[1-(3-methylheptan-3-yl)pyrrolidin-3-yl]methanol

C13H27NO — CID 139320060

IUPAC[1-(3-methylheptan-3-yl)pyrrolidin-3-yl]methanol
SMILESCCCCC(C)(CC)N1CCC(CO)C1
InChIInChI=1S/C13H27NO/c1-4-6-8-13(3,5-2)14-9-7-12(10-14)11-15/h12,15H,4-11H2,1-3H3
InChIKeyQQXMANBHRVROQB-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.66
Rot. Bonds6

About [1-(3-methylheptan-3-yl)pyrrolidin-3-yl]methanol

[1-(3-methylheptan-3-yl)pyrrolidin-3-yl]methanol (PubChem CID 139320060) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is [1-(3-methylheptan-3-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-methylheptan-3-yl)pyrrolidin-3-yl]methanol
PubChem CID139320060
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name[1-(3-methylheptan-3-yl)pyrrolidin-3-yl]methanol
SMILESCCCCC(C)(CC)N1CCC(CO)C1
InChIInChI=1S/C13H27NO/c1-4-6-8-13(3,5-2)14-9-7-12(10-14)11-15/h12,15H,4-11H2,1-3H3
InChIKeyQQXMANBHRVROQB-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-(3-methylheptan-3-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(3-methylheptan-3-yl)pyrrolidin-3-yl]methanol (CID 139320060) is [1-(3-methylheptan-3-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(3-methylheptan-3-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(3-methylheptan-3-yl)pyrrolidin-3-yl]methanol is CCCCC(C)(CC)N1CCC(CO)C1.
What is the InChIKey of [1-(3-methylheptan-3-yl)pyrrolidin-3-yl]methanol?
The InChIKey is QQXMANBHRVROQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-6-8-13(3,5-2)14-9-7-12(10-14)11-15/h12,15H,4-11H2,1-3H3.
What are the key properties of [1-(3-methylheptan-3-yl)pyrrolidin-3-yl]methanol?
[1-(3-methylheptan-3-yl)pyrrolidin-3-yl]methanol 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-(3-methylheptan-3-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 139320060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).