2-cyclobutyl-N-[(6-methylcyclohexen-1-yl)oxymethyl]propan-1-amine

C15H27NO — CID 123500183

IUPAC2-cyclobutyl-N-[(6-methylcyclohexen-1-yl)oxymethyl]propan-1-amine
SMILESCC1CCCC=C1OCNCC(C)C1CCC1
InChIInChI=1S/C15H27NO/c1-12-6-3-4-9-15(12)17-11-16-10-13(2)14-7-5-8-14/h9,12-14,16H,3-8,10-11H2,1-2H3
InChIKeyWQYUSSGUNXPIOI-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.69
Rot. Bonds6

About 2-cyclobutyl-N-[(6-methylcyclohexen-1-yl)oxymethyl]propan-1-amine

2-cyclobutyl-N-[(6-methylcyclohexen-1-yl)oxymethyl]propan-1-amine (PubChem CID 123500183) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-cyclobutyl-N-[(6-methylcyclohexen-1-yl)oxymethyl]propan-1-amine.

Molecular Properties

Compound Name2-cyclobutyl-N-[(6-methylcyclohexen-1-yl)oxymethyl]propan-1-amine
PubChem CID123500183
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-cyclobutyl-N-[(6-methylcyclohexen-1-yl)oxymethyl]propan-1-amine
SMILESCC1CCCC=C1OCNCC(C)C1CCC1
InChIInChI=1S/C15H27NO/c1-12-6-3-4-9-15(12)17-11-16-10-13(2)14-7-5-8-14/h9,12-14,16H,3-8,10-11H2,1-2H3
InChIKeyWQYUSSGUNXPIOI-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[4-methoxy-6-(methoxymethyl)cyclohex-3-en-1-yl]-N-methylmethanamine
CID 123264362
2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 142187162
4-(3-Methoxyhex-3-enyl)piperidine
CID 145206367
1-(3-methoxycyclohex-2-en-1-yl)-N-methylmethanamine
CID 12447981

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[(6-methylcyclohexen-1-yl)oxymethyl]propan-1-amine?
The IUPAC name of 2-cyclobutyl-N-[(6-methylcyclohexen-1-yl)oxymethyl]propan-1-amine (CID 123500183) is 2-cyclobutyl-N-[(6-methylcyclohexen-1-yl)oxymethyl]propan-1-amine.
What is the SMILES notation for 2-cyclobutyl-N-[(6-methylcyclohexen-1-yl)oxymethyl]propan-1-amine?
The canonical SMILES for 2-cyclobutyl-N-[(6-methylcyclohexen-1-yl)oxymethyl]propan-1-amine is CC1CCCC=C1OCNCC(C)C1CCC1.
What is the InChIKey of 2-cyclobutyl-N-[(6-methylcyclohexen-1-yl)oxymethyl]propan-1-amine?
The InChIKey is WQYUSSGUNXPIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-12-6-3-4-9-15(12)17-11-16-10-13(2)14-7-5-8-14/h9,12-14,16H,3-8,10-11H2,1-2H3.
What are the key properties of 2-cyclobutyl-N-[(6-methylcyclohexen-1-yl)oxymethyl]propan-1-amine?
2-cyclobutyl-N-[(6-methylcyclohexen-1-yl)oxymethyl]propan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[(6-methylcyclohexen-1-yl)oxymethyl]propan-1-amine is sourced from PubChem (CID 123500183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).