1-[4-butyl-1-(2-ethoxyethyl)cyclohexyl]-N-methylmethanamine

C16H33NO — CID 62724574

IUPAC1-[4-butyl-1-(2-ethoxyethyl)cyclohexyl]-N-methylmethanamine
SMILESCCCCC1CCC(CCOCC)(CNC)CC1
InChIInChI=1S/C16H33NO/c1-4-6-7-15-8-10-16(11-9-15,14-17-3)12-13-18-5-2/h15,17H,4-14H2,1-3H3
InChIKeyGRKKANKNIDSESZ-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.00
Rot. Bonds9

About 1-[4-butyl-1-(2-ethoxyethyl)cyclohexyl]-N-methylmethanamine

1-[4-butyl-1-(2-ethoxyethyl)cyclohexyl]-N-methylmethanamine (PubChem CID 62724574) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-[4-butyl-1-(2-ethoxyethyl)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-butyl-1-(2-ethoxyethyl)cyclohexyl]-N-methylmethanamine
PubChem CID62724574
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name1-[4-butyl-1-(2-ethoxyethyl)cyclohexyl]-N-methylmethanamine
SMILESCCCCC1CCC(CCOCC)(CNC)CC1
InChIInChI=1S/C16H33NO/c1-4-6-7-15-8-10-16(11-9-15,14-17-3)12-13-18-5-2/h15,17H,4-14H2,1-3H3
InChIKeyGRKKANKNIDSESZ-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-butyl-1-(2-ethoxyethyl)cyclohexyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-butyl-1-(2-propoxyethyl)cyclohexyl]-N-methylmethanamine
CID 106456822
1-[4-butyl-1-(methoxymethyl)cyclohexyl]-N-methylmethanamine
CID 103984471
1-[4-butyl-1-(cyclopentylmethyl)cyclohexyl]-N-methylmethanamine
CID 55196231
1-[4-butyl-1-(2-methoxypropyl)cyclohexyl]-N-methylmethanamine
CID 113382951
N-[[4-butyl-1-(2-methoxyethyl)cyclohexyl]methyl]propan-1-amine
CID 63522013
N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 103984479
1-[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]-N-methylmethanamine
CID 65166135
N-[[4-butyl-1-(ethoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 103984483
N-[(4-butyl-1-pentylcyclohexyl)methyl]cyclopropanamine
CID 63523447
N-[[4-butyl-1-(2-propan-2-yloxyethyl)cyclohexyl]methyl]ethanamine
CID 63522916
N-[(1,4-dibutylcyclohexyl)methyl]ethanamine
CID 63523259
N-[(4-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine
CID 63523446

Frequently Asked Questions

What is the IUPAC name of 1-[4-butyl-1-(2-ethoxyethyl)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4-butyl-1-(2-ethoxyethyl)cyclohexyl]-N-methylmethanamine (CID 62724574) is 1-[4-butyl-1-(2-ethoxyethyl)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-butyl-1-(2-ethoxyethyl)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-butyl-1-(2-ethoxyethyl)cyclohexyl]-N-methylmethanamine is CCCCC1CCC(CCOCC)(CNC)CC1.
What is the InChIKey of 1-[4-butyl-1-(2-ethoxyethyl)cyclohexyl]-N-methylmethanamine?
The InChIKey is GRKKANKNIDSESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-4-6-7-15-8-10-16(11-9-15,14-17-3)12-13-18-5-2/h15,17H,4-14H2,1-3H3.
What are the key properties of 1-[4-butyl-1-(2-ethoxyethyl)cyclohexyl]-N-methylmethanamine?
1-[4-butyl-1-(2-ethoxyethyl)cyclohexyl]-N-methylmethanamine has a molecular weight of 255.45 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-butyl-1-(2-ethoxyethyl)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 62724574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).