N-(3-methoxy-2-methylpropyl)cyclohex-2-en-1-amine

C11H21NO — CID 102672600

IUPACN-(3-methoxy-2-methylpropyl)cyclohex-2-en-1-amine
SMILESCOCC(C)CNC1C=CCCC1
InChIInChI=1S/C11H21NO/c1-10(9-13-2)8-12-11-6-4-3-5-7-11/h4,6,10-12H,3,5,7-9H2,1-2H3
InChIKeyIQEJCJXQDXONQT-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.97
Rot. Bonds5

About N-(3-methoxy-2-methylpropyl)cyclohex-2-en-1-amine

N-(3-methoxy-2-methylpropyl)cyclohex-2-en-1-amine (PubChem CID 102672600) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-(3-methoxy-2-methylpropyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-(3-methoxy-2-methylpropyl)cyclohex-2-en-1-amine
PubChem CID102672600
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-(3-methoxy-2-methylpropyl)cyclohex-2-en-1-amine
SMILESCOCC(C)CNC1C=CCCC1
InChIInChI=1S/C11H21NO/c1-10(9-13-2)8-12-11-6-4-3-5-7-11/h4,6,10-12H,3,5,7-9H2,1-2H3
InChIKeyIQEJCJXQDXONQT-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
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 N-(3-methoxy-2-methylpropyl)cyclohex-2-en-1-amine?
The IUPAC name of N-(3-methoxy-2-methylpropyl)cyclohex-2-en-1-amine (CID 102672600) is N-(3-methoxy-2-methylpropyl)cyclohex-2-en-1-amine.
What is the SMILES notation for N-(3-methoxy-2-methylpropyl)cyclohex-2-en-1-amine?
The canonical SMILES for N-(3-methoxy-2-methylpropyl)cyclohex-2-en-1-amine is COCC(C)CNC1C=CCCC1.
What is the InChIKey of N-(3-methoxy-2-methylpropyl)cyclohex-2-en-1-amine?
The InChIKey is IQEJCJXQDXONQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(9-13-2)8-12-11-6-4-3-5-7-11/h4,6,10-12H,3,5,7-9H2,1-2H3.
What are the key properties of N-(3-methoxy-2-methylpropyl)cyclohex-2-en-1-amine?
N-(3-methoxy-2-methylpropyl)cyclohex-2-en-1-amine has a molecular weight of 183.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2-methylpropyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 102672600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).