[1-(2-methylidenebutylamino)cyclopentyl]methanol

C11H21NO — CID 66045706

IUPAC[1-(2-methylidenebutylamino)cyclopentyl]methanol
SMILESC=C(CC)CNC1(CO)CCCC1
InChIInChI=1S/C11H21NO/c1-3-10(2)8-12-11(9-13)6-4-5-7-11/h12-13H,2-9H2,1H3
InChIKeyBJXFFKQJVBRYAU-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.85
Rot. Bonds5

About [1-(2-methylidenebutylamino)cyclopentyl]methanol

[1-(2-methylidenebutylamino)cyclopentyl]methanol (PubChem CID 66045706) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is [1-(2-methylidenebutylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(2-methylidenebutylamino)cyclopentyl]methanol
PubChem CID66045706
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name[1-(2-methylidenebutylamino)cyclopentyl]methanol
SMILESC=C(CC)CNC1(CO)CCCC1
InChIInChI=1S/C11H21NO/c1-3-10(2)8-12-11(9-13)6-4-5-7-11/h12-13H,2-9H2,1H3
InChIKeyBJXFFKQJVBRYAU-UHFFFAOYSA-N
XLogP1.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.85
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 [1-(2-methylidenebutylamino)cyclopentyl]methanol?
The IUPAC name of [1-(2-methylidenebutylamino)cyclopentyl]methanol (CID 66045706) is [1-(2-methylidenebutylamino)cyclopentyl]methanol.
What is the SMILES notation for [1-(2-methylidenebutylamino)cyclopentyl]methanol?
The canonical SMILES for [1-(2-methylidenebutylamino)cyclopentyl]methanol is C=C(CC)CNC1(CO)CCCC1.
What is the InChIKey of [1-(2-methylidenebutylamino)cyclopentyl]methanol?
The InChIKey is BJXFFKQJVBRYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-10(2)8-12-11(9-13)6-4-5-7-11/h12-13H,2-9H2,1H3.
What are the key properties of [1-(2-methylidenebutylamino)cyclopentyl]methanol?
[1-(2-methylidenebutylamino)cyclopentyl]methanol has a molecular weight of 183.29 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylidenebutylamino)cyclopentyl]methanol is sourced from PubChem (CID 66045706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).