[2-(hex-5-en-2-ylamino)-1-methylcyclopentyl]methanol

C13H25NO — CID 86790074

IUPAC[2-(hex-5-en-2-ylamino)-1-methylcyclopentyl]methanol
SMILESC=CCCC(C)NC1CCCC1(C)CO
InChIInChI=1S/C13H25NO/c1-4-5-7-11(2)14-12-8-6-9-13(12,3)10-15/h4,11-12,14-15H,1,5-10H2,2-3H3
InChIKeyBRRIMTBJBRJNGL-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.48
Rot. Bonds6

About [2-(hex-5-en-2-ylamino)-1-methylcyclopentyl]methanol

[2-(hex-5-en-2-ylamino)-1-methylcyclopentyl]methanol (PubChem CID 86790074) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is [2-(hex-5-en-2-ylamino)-1-methylcyclopentyl]methanol.

Molecular Properties

Compound Name[2-(hex-5-en-2-ylamino)-1-methylcyclopentyl]methanol
PubChem CID86790074
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name[2-(hex-5-en-2-ylamino)-1-methylcyclopentyl]methanol
SMILESC=CCCC(C)NC1CCCC1(C)CO
InChIInChI=1S/C13H25NO/c1-4-5-7-11(2)14-12-8-6-9-13(12,3)10-15/h4,11-12,14-15H,1,5-10H2,2-3H3
InChIKeyBRRIMTBJBRJNGL-UHFFFAOYSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
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 [2-(hex-5-en-2-ylamino)-1-methylcyclopentyl]methanol?
The IUPAC name of [2-(hex-5-en-2-ylamino)-1-methylcyclopentyl]methanol (CID 86790074) is [2-(hex-5-en-2-ylamino)-1-methylcyclopentyl]methanol.
What is the SMILES notation for [2-(hex-5-en-2-ylamino)-1-methylcyclopentyl]methanol?
The canonical SMILES for [2-(hex-5-en-2-ylamino)-1-methylcyclopentyl]methanol is C=CCCC(C)NC1CCCC1(C)CO.
What is the InChIKey of [2-(hex-5-en-2-ylamino)-1-methylcyclopentyl]methanol?
The InChIKey is BRRIMTBJBRJNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-5-7-11(2)14-12-8-6-9-13(12,3)10-15/h4,11-12,14-15H,1,5-10H2,2-3H3.
What are the key properties of [2-(hex-5-en-2-ylamino)-1-methylcyclopentyl]methanol?
[2-(hex-5-en-2-ylamino)-1-methylcyclopentyl]methanol has a molecular weight of 211.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hex-5-en-2-ylamino)-1-methylcyclopentyl]methanol is sourced from PubChem (CID 86790074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).