[1-(2,6-dimethylhept-5-enyl)pyrrolidin-2-yl]methanol

C14H27NO — CID 3717985

IUPAC[1-(2,6-dimethylhept-5-enyl)pyrrolidin-2-yl]methanol
SMILESCC(C)=CCCC(C)CN1CCCC1CO
InChIInChI=1S/C14H27NO/c1-12(2)6-4-7-13(3)10-15-9-5-8-14(15)11-16/h6,13-14,16H,4-5,7-11H2,1-3H3
InChIKeyAOSTYZSPTDXKKY-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.83
Rot. Bonds6

About [1-(2,6-dimethylhept-5-enyl)pyrrolidin-2-yl]methanol

[1-(2,6-dimethylhept-5-enyl)pyrrolidin-2-yl]methanol (PubChem CID 3717985) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is [1-(2,6-dimethylhept-5-enyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2,6-dimethylhept-5-enyl)pyrrolidin-2-yl]methanol
PubChem CID3717985
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name[1-(2,6-dimethylhept-5-enyl)pyrrolidin-2-yl]methanol
SMILESCC(C)=CCCC(C)CN1CCCC1CO
InChIInChI=1S/C14H27NO/c1-12(2)6-4-7-13(3)10-15-9-5-8-14(15)11-16/h6,13-14,16H,4-5,7-11H2,1-3H3
InChIKeyAOSTYZSPTDXKKY-UHFFFAOYSA-N
XLogP2.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dimethylhept-5-enyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(2,6-dimethylhept-5-enyl)pyrrolidin-2-yl]methanol (CID 3717985) is [1-(2,6-dimethylhept-5-enyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(2,6-dimethylhept-5-enyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(2,6-dimethylhept-5-enyl)pyrrolidin-2-yl]methanol is CC(C)=CCCC(C)CN1CCCC1CO.
What is the InChIKey of [1-(2,6-dimethylhept-5-enyl)pyrrolidin-2-yl]methanol?
The InChIKey is AOSTYZSPTDXKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(2)6-4-7-13(3)10-15-9-5-8-14(15)11-16/h6,13-14,16H,4-5,7-11H2,1-3H3.
What are the key properties of [1-(2,6-dimethylhept-5-enyl)pyrrolidin-2-yl]methanol?
[1-(2,6-dimethylhept-5-enyl)pyrrolidin-2-yl]methanol has a molecular weight of 225.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dimethylhept-5-enyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 3717985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).