1-[(2-methylidenebutylamino)methyl]cyclopentan-1-ol

C11H21NO — CID 66045240

IUPAC1-[(2-methylidenebutylamino)methyl]cyclopentan-1-ol
SMILESC=C(CC)CNCC1(O)CCCC1
InChIInChI=1S/C11H21NO/c1-3-10(2)8-12-9-11(13)6-4-5-7-11/h12-13H,2-9H2,1H3
InChIKeyJETVOAIPFUXHAL-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.85
Rot. Bonds5

About 1-[(2-methylidenebutylamino)methyl]cyclopentan-1-ol

1-[(2-methylidenebutylamino)methyl]cyclopentan-1-ol (PubChem CID 66045240) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-[(2-methylidenebutylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(2-methylidenebutylamino)methyl]cyclopentan-1-ol
PubChem CID66045240
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-[(2-methylidenebutylamino)methyl]cyclopentan-1-ol
SMILESC=C(CC)CNCC1(O)CCCC1
InChIInChI=1S/C11H21NO/c1-3-10(2)8-12-9-11(13)6-4-5-7-11/h12-13H,2-9H2,1H3
InChIKeyJETVOAIPFUXHAL-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)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(2-methylidenebutylamino)methyl]cyclopentan-1-ol (CID 66045240) is 1-[(2-methylidenebutylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(2-methylidenebutylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(2-methylidenebutylamino)methyl]cyclopentan-1-ol is C=C(CC)CNCC1(O)CCCC1.
What is the InChIKey of 1-[(2-methylidenebutylamino)methyl]cyclopentan-1-ol?
The InChIKey is JETVOAIPFUXHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-10(2)8-12-9-11(13)6-4-5-7-11/h12-13H,2-9H2,1H3.
What are the key properties of 1-[(2-methylidenebutylamino)methyl]cyclopentan-1-ol?
1-[(2-methylidenebutylamino)methyl]cyclopentan-1-ol 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)methyl]cyclopentan-1-ol is sourced from PubChem (CID 66045240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).