N-(4-methoxybutyl)cyclohex-2-en-1-amine

C11H21NO — CID 107234448

IUPACN-(4-methoxybutyl)cyclohex-2-en-1-amine
SMILESCOCCCCNC1C=CCCC1
InChIInChI=1S/C11H21NO/c1-13-10-6-5-9-12-11-7-3-2-4-8-11/h3,7,11-12H,2,4-6,8-10H2,1H3
InChIKeyQRTNAIXZHBULMR-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds6

About N-(4-methoxybutyl)cyclohex-2-en-1-amine

N-(4-methoxybutyl)cyclohex-2-en-1-amine (PubChem CID 107234448) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-(4-methoxybutyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-(4-methoxybutyl)cyclohex-2-en-1-amine
PubChem CID107234448
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-(4-methoxybutyl)cyclohex-2-en-1-amine
SMILESCOCCCCNC1C=CCCC1
InChIInChI=1S/C11H21NO/c1-13-10-6-5-9-12-11-7-3-2-4-8-11/h3,7,11-12H,2,4-6,8-10H2,1H3
InChIKeyQRTNAIXZHBULMR-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.11
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)cyclohex-2-en-1-amine?
The IUPAC name of N-(4-methoxybutyl)cyclohex-2-en-1-amine (CID 107234448) is N-(4-methoxybutyl)cyclohex-2-en-1-amine.
What is the SMILES notation for N-(4-methoxybutyl)cyclohex-2-en-1-amine?
The canonical SMILES for N-(4-methoxybutyl)cyclohex-2-en-1-amine is COCCCCNC1C=CCCC1.
What is the InChIKey of N-(4-methoxybutyl)cyclohex-2-en-1-amine?
The InChIKey is QRTNAIXZHBULMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-13-10-6-5-9-12-11-7-3-2-4-8-11/h3,7,11-12H,2,4-6,8-10H2,1H3.
What are the key properties of N-(4-methoxybutyl)cyclohex-2-en-1-amine?
N-(4-methoxybutyl)cyclohex-2-en-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 107234448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).