2-ethyl-2-(ethylamino)-5-(N-ethyl-3-methylanilino)pentan-1-ol

C18H32N2O — CID 106809347

IUPAC2-ethyl-2-(ethylamino)-5-(N-ethyl-3-methylanilino)pentan-1-ol
SMILESCCNC(CC)(CO)CCCN(CC)c1cccc(C)c1
InChIInChI=1S/C18H32N2O/c1-5-18(15-21,19-6-2)12-9-13-20(7-3)17-11-8-10-16(4)14-17/h8,10-11,14,19,21H,5-7,9,12-13,15H2,1-4H3
InChIKeyHKVYAVQKGNKAIT-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.35
Rot. Bonds10

About 2-ethyl-2-(ethylamino)-5-(N-ethyl-3-methylanilino)pentan-1-ol

2-ethyl-2-(ethylamino)-5-(N-ethyl-3-methylanilino)pentan-1-ol (PubChem CID 106809347) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-ethyl-2-(ethylamino)-5-(N-ethyl-3-methylanilino)pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(ethylamino)-5-(N-ethyl-3-methylanilino)pentan-1-ol
PubChem CID106809347
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name2-ethyl-2-(ethylamino)-5-(N-ethyl-3-methylanilino)pentan-1-ol
SMILESCCNC(CC)(CO)CCCN(CC)c1cccc(C)c1
InChIInChI=1S/C18H32N2O/c1-5-18(15-21,19-6-2)12-9-13-20(7-3)17-11-8-10-16(4)14-17/h8,10-11,14,19,21H,5-7,9,12-13,15H2,1-4H3
InChIKeyHKVYAVQKGNKAIT-UHFFFAOYSA-N
XLogP3.35
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494
N-tert-butyl-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 61077284
ethane;2-(N-ethyl-3-methylanilino)ethanol
CID 142945476
2-(ethylamino)-5-(N-ethylanilino)-2-methylpentan-1-ol
CID 64796324
2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol
CID 67646691
5-(N,2-dimethylanilino)-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106808939
3-(N-ethyl-3-methylanilino)-2,2-dimethylpropan-1-ol
CID 62272248
N'-ethyl-N'-(3-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 20811771
hydrazinyl 3-(N-ethyl-3-methylanilino)propanoate
CID 66337672
2-(cyclopropylamino)-3-(N-ethyl-3-methylanilino)-2-methylpropan-1-ol
CID 64826466
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
CID 110892216

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylamino)-5-(N-ethyl-3-methylanilino)pentan-1-ol?
The IUPAC name of 2-ethyl-2-(ethylamino)-5-(N-ethyl-3-methylanilino)pentan-1-ol (CID 106809347) is 2-ethyl-2-(ethylamino)-5-(N-ethyl-3-methylanilino)pentan-1-ol.
What is the SMILES notation for 2-ethyl-2-(ethylamino)-5-(N-ethyl-3-methylanilino)pentan-1-ol?
The canonical SMILES for 2-ethyl-2-(ethylamino)-5-(N-ethyl-3-methylanilino)pentan-1-ol is CCNC(CC)(CO)CCCN(CC)c1cccc(C)c1.
What is the InChIKey of 2-ethyl-2-(ethylamino)-5-(N-ethyl-3-methylanilino)pentan-1-ol?
The InChIKey is HKVYAVQKGNKAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-5-18(15-21,19-6-2)12-9-13-20(7-3)17-11-8-10-16(4)14-17/h8,10-11,14,19,21H,5-7,9,12-13,15H2,1-4H3.
What are the key properties of 2-ethyl-2-(ethylamino)-5-(N-ethyl-3-methylanilino)pentan-1-ol?
2-ethyl-2-(ethylamino)-5-(N-ethyl-3-methylanilino)pentan-1-ol has a molecular weight of 292.47 g/mol, XLogP of 3.35, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(ethylamino)-5-(N-ethyl-3-methylanilino)pentan-1-ol is sourced from PubChem (CID 106809347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).