[2-(2-methylidenebutoxy)cyclohexyl]methanamine

C12H23NO — CID 66046455

IUPAC[2-(2-methylidenebutoxy)cyclohexyl]methanamine
SMILESC=C(CC)COC1CCCCC1CN
InChIInChI=1S/C12H23NO/c1-3-10(2)9-14-12-7-5-4-6-11(12)8-13/h11-12H,2-9,13H2,1H3
InChIKeyCMZBNEUUBSIRPF-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.49
Rot. Bonds5

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

[2-(2-methylidenebutoxy)cyclohexyl]methanamine (PubChem CID 66046455) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is [2-(2-methylidenebutoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2-methylidenebutoxy)cyclohexyl]methanamine
PubChem CID66046455
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name[2-(2-methylidenebutoxy)cyclohexyl]methanamine
SMILESC=C(CC)COC1CCCCC1CN
InChIInChI=1S/C12H23NO/c1-3-10(2)9-14-12-7-5-4-6-11(12)8-13/h11-12H,2-9,13H2,1H3
InChIKeyCMZBNEUUBSIRPF-UHFFFAOYSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.49
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)cyclohexyl]methanamine?
The IUPAC name of [2-(2-methylidenebutoxy)cyclohexyl]methanamine (CID 66046455) is [2-(2-methylidenebutoxy)cyclohexyl]methanamine.
What is the SMILES notation for [2-(2-methylidenebutoxy)cyclohexyl]methanamine?
The canonical SMILES for [2-(2-methylidenebutoxy)cyclohexyl]methanamine is C=C(CC)COC1CCCCC1CN.
What is the InChIKey of [2-(2-methylidenebutoxy)cyclohexyl]methanamine?
The InChIKey is CMZBNEUUBSIRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-10(2)9-14-12-7-5-4-6-11(12)8-13/h11-12H,2-9,13H2,1H3.
What are the key properties of [2-(2-methylidenebutoxy)cyclohexyl]methanamine?
[2-(2-methylidenebutoxy)cyclohexyl]methanamine has a molecular weight of 197.32 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylidenebutoxy)cyclohexyl]methanamine is sourced from PubChem (CID 66046455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).