3-(4-methoxybutyl)cyclohex-2-en-1-amine

C11H21NO — CID 104650086

IUPAC3-(4-methoxybutyl)cyclohex-2-en-1-amine
SMILESCOCCCCC1=CC(N)CCC1
InChIInChI=1S/C11H21NO/c1-13-8-3-2-5-10-6-4-7-11(12)9-10/h9,11H,2-8,12H2,1H3
InChIKeyJHSFXQRLGPVPKC-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.24
Rot. Bonds5

About 3-(4-methoxybutyl)cyclohex-2-en-1-amine

3-(4-methoxybutyl)cyclohex-2-en-1-amine (PubChem CID 104650086) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-(4-methoxybutyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-(4-methoxybutyl)cyclohex-2-en-1-amine
PubChem CID104650086
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-(4-methoxybutyl)cyclohex-2-en-1-amine
SMILESCOCCCCC1=CC(N)CCC1
InChIInChI=1S/C11H21NO/c1-13-8-3-2-5-10-6-4-7-11(12)9-10/h9,11H,2-8,12H2,1H3
InChIKeyJHSFXQRLGPVPKC-UHFFFAOYSA-N
XLogP2.24
TPSA35.25 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 ≤ 52.24
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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Related Compounds

3-[3-(2,2,2-Trifluoroethoxy)propyl]cyclohex-2-en-1-amine
CID 65172107
3-[3-(2,2,2-Trifluoroethoxy)propyl]cyclopent-2-en-1-amine
CID 65174408
1-(Cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207498
1-(Cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine
CID 103207499
1-(Cyclohexen-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207500
1-(Cyclopenten-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine
CID 103207509
1-(Cyclopenten-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207510
1-(Cyclohepten-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine
CID 103207519
1-(Cyclohepten-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 113788176
1-(Cycloocten-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 113860657
1-(Cycloocten-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine
CID 113860658
3-[3-(2,2,2-Trifluoroethoxy)propyl]cyclohept-2-en-1-amine
CID 113952617

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxybutyl)cyclohex-2-en-1-amine?
The IUPAC name of 3-(4-methoxybutyl)cyclohex-2-en-1-amine (CID 104650086) is 3-(4-methoxybutyl)cyclohex-2-en-1-amine.
What is the SMILES notation for 3-(4-methoxybutyl)cyclohex-2-en-1-amine?
The canonical SMILES for 3-(4-methoxybutyl)cyclohex-2-en-1-amine is COCCCCC1=CC(N)CCC1.
What is the InChIKey of 3-(4-methoxybutyl)cyclohex-2-en-1-amine?
The InChIKey is JHSFXQRLGPVPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-13-8-3-2-5-10-6-4-7-11(12)9-10/h9,11H,2-8,12H2,1H3.
What are the key properties of 3-(4-methoxybutyl)cyclohex-2-en-1-amine?
3-(4-methoxybutyl)cyclohex-2-en-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxybutyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 104650086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).