[2-(2-methylidenebutoxy)cyclopentyl]methanamine

C11H21NO — CID 66046216

IUPAC[2-(2-methylidenebutoxy)cyclopentyl]methanamine
SMILESC=C(CC)COC1CCCC1CN
InChIInChI=1S/C11H21NO/c1-3-9(2)8-13-11-6-4-5-10(11)7-12/h10-11H,2-8,12H2,1H3
InChIKeyUQMHRIBBIYGVHZ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.10
Rot. Bonds5

About [2-(2-methylidenebutoxy)cyclopentyl]methanamine

[2-(2-methylidenebutoxy)cyclopentyl]methanamine (PubChem CID 66046216) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is [2-(2-methylidenebutoxy)cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(2-methylidenebutoxy)cyclopentyl]methanamine
PubChem CID66046216
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name[2-(2-methylidenebutoxy)cyclopentyl]methanamine
SMILESC=C(CC)COC1CCCC1CN
InChIInChI=1S/C11H21NO/c1-3-9(2)8-13-11-6-4-5-10(11)7-12/h10-11H,2-8,12H2,1H3
InChIKeyUQMHRIBBIYGVHZ-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.10
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 [2-(2-methylidenebutoxy)cyclopentyl]methanamine?
The IUPAC name of [2-(2-methylidenebutoxy)cyclopentyl]methanamine (CID 66046216) is [2-(2-methylidenebutoxy)cyclopentyl]methanamine.
What is the SMILES notation for [2-(2-methylidenebutoxy)cyclopentyl]methanamine?
The canonical SMILES for [2-(2-methylidenebutoxy)cyclopentyl]methanamine is C=C(CC)COC1CCCC1CN.
What is the InChIKey of [2-(2-methylidenebutoxy)cyclopentyl]methanamine?
The InChIKey is UQMHRIBBIYGVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-9(2)8-13-11-6-4-5-10(11)7-12/h10-11H,2-8,12H2,1H3.
What are the key properties of [2-(2-methylidenebutoxy)cyclopentyl]methanamine?
[2-(2-methylidenebutoxy)cyclopentyl]methanamine has a molecular weight of 183.29 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylidenebutoxy)cyclopentyl]methanamine is sourced from PubChem (CID 66046216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).