N-ethyl-N-[1-(5-methyl-2-propan-2-ylcyclohexyl)ethyl]aniline

C20H33N — CID 21407160

IUPACN-ethyl-N-[1-(5-methyl-2-propan-2-ylcyclohexyl)ethyl]aniline
SMILESCCN(c1ccccc1)C(C)C1CC(C)CCC1C(C)C
InChIInChI=1S/C20H33N/c1-6-21(18-10-8-7-9-11-18)17(5)20-14-16(4)12-13-19(20)15(2)3/h7-11,15-17,19-20H,6,12-14H2,1-5H3
InChIKeyDOFNGHUGCIINNS-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.61
Rot. Bonds5

About N-ethyl-N-[1-(5-methyl-2-propan-2-ylcyclohexyl)ethyl]aniline

N-ethyl-N-[1-(5-methyl-2-propan-2-ylcyclohexyl)ethyl]aniline (PubChem CID 21407160) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-ethyl-N-[1-(5-methyl-2-propan-2-ylcyclohexyl)ethyl]aniline.

Molecular Properties

Compound NameN-ethyl-N-[1-(5-methyl-2-propan-2-ylcyclohexyl)ethyl]aniline
PubChem CID21407160
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-ethyl-N-[1-(5-methyl-2-propan-2-ylcyclohexyl)ethyl]aniline
SMILESCCN(c1ccccc1)C(C)C1CC(C)CCC1C(C)C
InChIInChI=1S/C20H33N/c1-6-21(18-10-8-7-9-11-18)17(5)20-14-16(4)12-13-19(20)15(2)3/h7-11,15-17,19-20H,6,12-14H2,1-5H3
InChIKeyDOFNGHUGCIINNS-UHFFFAOYSA-N
XLogP5.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-ethyl-N-[1-(5-methyl-2-propan-2-ylcyclohexyl)ethyl]aniline with MolForge

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Related Compounds

(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
2-(N-(5-methyl-2-propan-2-ylcyclohexyl)anilino)acetic acid
CID 65057316
CID 10096491
CID 10096491
CID 10277160
CID 10277160
bis(5-methyl-2-propan-2-ylcyclohexyl)-phenyl-phosphanylphosphanium
CID 88798842
2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 173263952
trans-(1S,4R)-2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 142957322
(Z,1S)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenylbut-2-ene-1,4-diol
CID 101356340
(E,1S)-1-(5-methyl-2-propan-2-ylcyclohexyl)-3-phenylprop-2-en-1-ol
CID 101174954
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfanylmethylbenzene
CID 100954560
(E,1R)-3-methyl-1-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbut-2-en-1-ol
CID 101052478
2-(5-methyl-2-propan-2-ylcyclohexyl)-2-phenoxyacetic acid
CID 118599668

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(5-methyl-2-propan-2-ylcyclohexyl)ethyl]aniline?
The IUPAC name of N-ethyl-N-[1-(5-methyl-2-propan-2-ylcyclohexyl)ethyl]aniline (CID 21407160) is N-ethyl-N-[1-(5-methyl-2-propan-2-ylcyclohexyl)ethyl]aniline.
What is the SMILES notation for N-ethyl-N-[1-(5-methyl-2-propan-2-ylcyclohexyl)ethyl]aniline?
The canonical SMILES for N-ethyl-N-[1-(5-methyl-2-propan-2-ylcyclohexyl)ethyl]aniline is CCN(c1ccccc1)C(C)C1CC(C)CCC1C(C)C.
What is the InChIKey of N-ethyl-N-[1-(5-methyl-2-propan-2-ylcyclohexyl)ethyl]aniline?
The InChIKey is DOFNGHUGCIINNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-6-21(18-10-8-7-9-11-18)17(5)20-14-16(4)12-13-19(20)15(2)3/h7-11,15-17,19-20H,6,12-14H2,1-5H3.
What are the key properties of N-ethyl-N-[1-(5-methyl-2-propan-2-ylcyclohexyl)ethyl]aniline?
N-ethyl-N-[1-(5-methyl-2-propan-2-ylcyclohexyl)ethyl]aniline has a molecular weight of 287.49 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(5-methyl-2-propan-2-ylcyclohexyl)ethyl]aniline is sourced from PubChem (CID 21407160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).