4-[(1-cyclohexylethylamino)methyl]-N,N-dimethylaniline

C17H28N2 — CID 43769966

IUPAC4-[(1-cyclohexylethylamino)methyl]-N,N-dimethylaniline
SMILESCC(NCc1ccc(N(C)C)cc1)C1CCCCC1
InChIInChI=1S/C17H28N2/c1-14(16-7-5-4-6-8-16)18-13-15-9-11-17(12-10-15)19(2)3/h9-12,14,16,18H,4-8,13H2,1-3H3
InChIKeyNRMIGYQKTSDROJ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.81
Rot. Bonds5

About 4-[(1-cyclohexylethylamino)methyl]-N,N-dimethylaniline

4-[(1-cyclohexylethylamino)methyl]-N,N-dimethylaniline (PubChem CID 43769966) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-[(1-cyclohexylethylamino)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(1-cyclohexylethylamino)methyl]-N,N-dimethylaniline
PubChem CID43769966
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name4-[(1-cyclohexylethylamino)methyl]-N,N-dimethylaniline
SMILESCC(NCc1ccc(N(C)C)cc1)C1CCCCC1
InChIInChI=1S/C17H28N2/c1-14(16-7-5-4-6-8-16)18-13-15-9-11-17(12-10-15)19(2)3/h9-12,14,16,18H,4-8,13H2,1-3H3
InChIKeyNRMIGYQKTSDROJ-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81387895
N,N-dimethyl-4-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]aniline
CID 43308440
(1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81384290
(1S)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81390306
(1R)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81388470
(1S)-1-cyclopentyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81386101
(1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine
CID 81394920
(1S)-1-cyclobutyl-N-[(4-methylphenyl)methyl]ethanamine
CID 118957385
2-[4-[[[(1R)-1-cycloheptylethyl]amino]methyl]phenyl]acetic acid
CID 103257924
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]benzoic acid
CID 81389676
(1S)-1-cycloheptyl-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 81389655
N-[[4-(dimethylamino)phenyl]methyl]cyclooctanamine;hydrochloride
CID 17332385

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclohexylethylamino)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(1-cyclohexylethylamino)methyl]-N,N-dimethylaniline (CID 43769966) is 4-[(1-cyclohexylethylamino)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(1-cyclohexylethylamino)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(1-cyclohexylethylamino)methyl]-N,N-dimethylaniline is CC(NCc1ccc(N(C)C)cc1)C1CCCCC1.
What is the InChIKey of 4-[(1-cyclohexylethylamino)methyl]-N,N-dimethylaniline?
The InChIKey is NRMIGYQKTSDROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(16-7-5-4-6-8-16)18-13-15-9-11-17(12-10-15)19(2)3/h9-12,14,16,18H,4-8,13H2,1-3H3.
What are the key properties of 4-[(1-cyclohexylethylamino)methyl]-N,N-dimethylaniline?
4-[(1-cyclohexylethylamino)methyl]-N,N-dimethylaniline has a molecular weight of 260.43 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclohexylethylamino)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 43769966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).