2-(4-methoxybutyl)-N-methylcyclohexan-1-amine

C12H25NO — CID 104648337

IUPAC2-(4-methoxybutyl)-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1CCCCOC
InChIInChI=1S/C12H25NO/c1-13-12-9-4-3-7-11(12)8-5-6-10-14-2/h11-13H,3-10H2,1-2H3
InChIKeyPNJKOMXYCMFMJA-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds6

About 2-(4-methoxybutyl)-N-methylcyclohexan-1-amine

2-(4-methoxybutyl)-N-methylcyclohexan-1-amine (PubChem CID 104648337) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-(4-methoxybutyl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-methoxybutyl)-N-methylcyclohexan-1-amine
PubChem CID104648337
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-(4-methoxybutyl)-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1CCCCOC
InChIInChI=1S/C12H25NO/c1-13-12-9-4-3-7-11(12)8-5-6-10-14-2/h11-13H,3-10H2,1-2H3
InChIKeyPNJKOMXYCMFMJA-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluoro-3-methoxycyclohexyl)-N-methylpropan-1-amine
CID 90980813
N-Methyl-2-[(oxolan-2-yl)methyl]cyclohexan-1-amine
CID 13025937
2-(3-Ethoxypropyl) cyclohexylamine
CID 13948384
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962222
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962223
1-cyclohexyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095357
N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61490333
N,4-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61749117
N-methyl-4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61749934
4-ethyl-N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61750304
N-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 64498047
1-cyclohexyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148521

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybutyl)-N-methylcyclohexan-1-amine?
The IUPAC name of 2-(4-methoxybutyl)-N-methylcyclohexan-1-amine (CID 104648337) is 2-(4-methoxybutyl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(4-methoxybutyl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-(4-methoxybutyl)-N-methylcyclohexan-1-amine is CNC1CCCCC1CCCCOC.
What is the InChIKey of 2-(4-methoxybutyl)-N-methylcyclohexan-1-amine?
The InChIKey is PNJKOMXYCMFMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-13-12-9-4-3-7-11(12)8-5-6-10-14-2/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-(4-methoxybutyl)-N-methylcyclohexan-1-amine?
2-(4-methoxybutyl)-N-methylcyclohexan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybutyl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 104648337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).