N-cyclohexyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline

C18H30N2 — CID 43284232

IUPACN-cyclohexyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline
SMILESCCNC(C)c1ccc(N(CC)C2CCCCC2)cc1
InChIInChI=1S/C18H30N2/c1-4-19-15(3)16-11-13-18(14-12-16)20(5-2)17-9-7-6-8-10-17/h11-15,17,19H,4-10H2,1-3H3
InChIKeyLUTMAWGJSWNRCI-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.52
Rot. Bonds6

About N-cyclohexyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline

N-cyclohexyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline (PubChem CID 43284232) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline
PubChem CID43284232
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-cyclohexyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline
SMILESCCNC(C)c1ccc(N(CC)C2CCCCC2)cc1
InChIInChI=1S/C18H30N2/c1-4-19-15(3)16-11-13-18(14-12-16)20(5-2)17-9-7-6-8-10-17/h11-15,17,19H,4-10H2,1-3H3
InChIKeyLUTMAWGJSWNRCI-UHFFFAOYSA-N
XLogP4.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.52
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'}

Analyze N-cyclohexyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline 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

N-cyclopropyl-N-ethyl-4-[1-(methylamino)ethyl]aniline
CID 43284542
2-chloro-N-cyclopentyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline
CID 63533268
N-cyclohexyl-N-ethyl-4-fluoroaniline
CID 57205530
N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N-methylcycloheptanamine
CID 43614154
(1S)-1-(4-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007263
5-[cyclopropyl(ethyl)amino]-2-[1-(ethylamino)ethyl]phenol
CID 79600599
N-cyclopentyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline
CID 43284607
4-bromo-N-cyclohexyl-N-ethyl-2-[1-(ethylamino)ethyl]aniline
CID 82955374
N-cyclohexyl-N-ethyl-4-(trifluoromethyl)aniline
CID 10778520
N-ethyl-4-[1-(ethylamino)ethyl]-N-propan-2-ylaniline
CID 43284571
N-methyl-N-[4-[1-(methylamino)ethyl]phenyl]cycloheptanamine
CID 43614157
N-cyclopentyl-N-ethyl-2-[1-(ethylamino)ethyl]-4-fluoroaniline
CID 43541268

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline?
The IUPAC name of N-cyclohexyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline (CID 43284232) is N-cyclohexyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline.
What is the SMILES notation for N-cyclohexyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline?
The canonical SMILES for N-cyclohexyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline is CCNC(C)c1ccc(N(CC)C2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline?
The InChIKey is LUTMAWGJSWNRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-19-15(3)16-11-13-18(14-12-16)20(5-2)17-9-7-6-8-10-17/h11-15,17,19H,4-10H2,1-3H3.
What are the key properties of N-cyclohexyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline?
N-cyclohexyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline has a molecular weight of 274.45 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline is sourced from PubChem (CID 43284232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).