N-ethyl-1-(4-ethylcyclohexyl)-4-phenylbutan-1-amine

C20H33N — CID 65394984

IUPACN-ethyl-1-(4-ethylcyclohexyl)-4-phenylbutan-1-amine
SMILESCCNC(CCCc1ccccc1)C1CCC(CC)CC1
InChIInChI=1S/C20H33N/c1-3-17-13-15-19(16-14-17)20(21-4-2)12-8-11-18-9-6-5-7-10-18/h5-7,9-10,17,19-21H,3-4,8,11-16H2,1-2H3
InChIKeyCBEWDVTZIIVOJO-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.20
Rot. Bonds8

About N-ethyl-1-(4-ethylcyclohexyl)-4-phenylbutan-1-amine

N-ethyl-1-(4-ethylcyclohexyl)-4-phenylbutan-1-amine (PubChem CID 65394984) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-ethyl-1-(4-ethylcyclohexyl)-4-phenylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-ethylcyclohexyl)-4-phenylbutan-1-amine
PubChem CID65394984
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-ethyl-1-(4-ethylcyclohexyl)-4-phenylbutan-1-amine
SMILESCCNC(CCCc1ccccc1)C1CCC(CC)CC1
InChIInChI=1S/C20H33N/c1-3-17-13-15-19(16-14-17)20(21-4-2)12-8-11-18-9-6-5-7-10-18/h5-7,9-10,17,19-21H,3-4,8,11-16H2,1-2H3
InChIKeyCBEWDVTZIIVOJO-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-1-(oxan-4-yl)-4-phenylbutan-1-amine
CID 65334608
1-(3-ethylcyclopentyl)-N-methyl-4-phenylbutan-1-amine
CID 65412583
1-(4-methylcyclohexyl)-4-phenyl-N-propylbutan-1-amine
CID 63415913
[1-(4-ethylcyclohexyl)-3-phenylpropyl]hydrazine
CID 105205691
N-ethyl-1-(4-ethylcyclohexyl)-3-pyridin-3-ylpropan-1-amine
CID 105155347
1-cyclopropyl-N-ethyl-2-(3-phenylpropoxy)ethanamine
CID 63908583
1-(6-bicyclo[3.1.0]hexanyl)-N-ethyl-4-phenylbutan-1-amine
CID 115849575
N-ethyl-1-(3-ethylcyclopentyl)-2-phenylethanamine
CID 65412003
N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)-4-phenylbutan-1-amine
CID 115388037
N-ethyl-1-(4-ethylcyclohexyl)-2-(3-methylphenyl)ethanamine
CID 64776051
1-(2,2-dimethylcyclohexyl)-N-ethyl-4-phenylbutan-1-amine
CID 107188459
N-ethyl-1-(4-ethylcyclohexyl)-2-pyridin-3-ylethanamine
CID 64776867

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-ethylcyclohexyl)-4-phenylbutan-1-amine?
The IUPAC name of N-ethyl-1-(4-ethylcyclohexyl)-4-phenylbutan-1-amine (CID 65394984) is N-ethyl-1-(4-ethylcyclohexyl)-4-phenylbutan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-ethylcyclohexyl)-4-phenylbutan-1-amine?
The canonical SMILES for N-ethyl-1-(4-ethylcyclohexyl)-4-phenylbutan-1-amine is CCNC(CCCc1ccccc1)C1CCC(CC)CC1.
What is the InChIKey of N-ethyl-1-(4-ethylcyclohexyl)-4-phenylbutan-1-amine?
The InChIKey is CBEWDVTZIIVOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-3-17-13-15-19(16-14-17)20(21-4-2)12-8-11-18-9-6-5-7-10-18/h5-7,9-10,17,19-21H,3-4,8,11-16H2,1-2H3.
What are the key properties of N-ethyl-1-(4-ethylcyclohexyl)-4-phenylbutan-1-amine?
N-ethyl-1-(4-ethylcyclohexyl)-4-phenylbutan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-ethylcyclohexyl)-4-phenylbutan-1-amine is sourced from PubChem (CID 65394984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).