1-cyclohex-3-en-1-yl-N-(2-methylpropoxy)methanamine

C11H21NO — CID 82712039

IUPAC1-cyclohex-3-en-1-yl-N-(2-methylpropoxy)methanamine
SMILESCC(C)CONCC1CC=CCC1
InChIInChI=1S/C11H21NO/c1-10(2)9-13-12-8-11-6-4-3-5-7-11/h3-4,10-12H,5-9H2,1-2H3
InChIKeyAVBJSMQRXAYFBP-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.52
Rot. Bonds5

About 1-cyclohex-3-en-1-yl-N-(2-methylpropoxy)methanamine

1-cyclohex-3-en-1-yl-N-(2-methylpropoxy)methanamine (PubChem CID 82712039) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-N-(2-methylpropoxy)methanamine.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-N-(2-methylpropoxy)methanamine
PubChem CID82712039
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-cyclohex-3-en-1-yl-N-(2-methylpropoxy)methanamine
SMILESCC(C)CONCC1CC=CCC1
InChIInChI=1S/C11H21NO/c1-10(2)9-13-12-8-11-6-4-3-5-7-11/h3-4,10-12H,5-9H2,1-2H3
InChIKeyAVBJSMQRXAYFBP-UHFFFAOYSA-N
XLogP2.52
TPSA21.26 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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-N-(2-methylpropoxy)methanamine?
The IUPAC name of 1-cyclohex-3-en-1-yl-N-(2-methylpropoxy)methanamine (CID 82712039) is 1-cyclohex-3-en-1-yl-N-(2-methylpropoxy)methanamine.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-N-(2-methylpropoxy)methanamine?
The canonical SMILES for 1-cyclohex-3-en-1-yl-N-(2-methylpropoxy)methanamine is CC(C)CONCC1CC=CCC1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-N-(2-methylpropoxy)methanamine?
The InChIKey is AVBJSMQRXAYFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2)9-13-12-8-11-6-4-3-5-7-11/h3-4,10-12H,5-9H2,1-2H3.
What are the key properties of 1-cyclohex-3-en-1-yl-N-(2-methylpropoxy)methanamine?
1-cyclohex-3-en-1-yl-N-(2-methylpropoxy)methanamine has a molecular weight of 183.29 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-N-(2-methylpropoxy)methanamine is sourced from PubChem (CID 82712039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).