5-(N,2-dimethylanilino)-2-ethyl-2-(ethylamino)pentan-1-ol

C17H30N2O — CID 106808939

IUPAC5-(N,2-dimethylanilino)-2-ethyl-2-(ethylamino)pentan-1-ol
SMILESCCNC(CC)(CO)CCCN(C)c1ccccc1C
InChIInChI=1S/C17H30N2O/c1-5-17(14-20,18-6-2)12-9-13-19(4)16-11-8-7-10-15(16)3/h7-8,10-11,18,20H,5-6,9,12-14H2,1-4H3
InChIKeyIFRUTQYBUBSNSR-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.96
Rot. Bonds9

About 5-(N,2-dimethylanilino)-2-ethyl-2-(ethylamino)pentan-1-ol

5-(N,2-dimethylanilino)-2-ethyl-2-(ethylamino)pentan-1-ol (PubChem CID 106808939) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 5-(N,2-dimethylanilino)-2-ethyl-2-(ethylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(N,2-dimethylanilino)-2-ethyl-2-(ethylamino)pentan-1-ol
PubChem CID106808939
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name5-(N,2-dimethylanilino)-2-ethyl-2-(ethylamino)pentan-1-ol
SMILESCCNC(CC)(CO)CCCN(C)c1ccccc1C
InChIInChI=1S/C17H30N2O/c1-5-17(14-20,18-6-2)12-9-13-19(4)16-11-8-7-10-15(16)3/h7-8,10-11,18,20H,5-6,9,12-14H2,1-4H3
InChIKeyIFRUTQYBUBSNSR-UHFFFAOYSA-N
XLogP2.96
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(N,2-dimethylanilino)-2-ethyl-2-(propylamino)pentan-1-ol
CID 106808938
4-(N,2-dimethylanilino)-2-(ethylamino)-2-methylbutan-1-ol
CID 64791132
5-(N,2-dimethylanilino)-2-methyl-2-(propylamino)pentan-1-ol
CID 64789948
4-(N,2-dimethylanilino)-2-methyl-2-(propylamino)butan-1-ol
CID 64790737
2-ethyl-2-(ethylamino)-5-(N-ethyl-3-methylanilino)pentan-1-ol
CID 106809347
N-tert-butyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 55069200
6-(N,2-dimethylanilino)hexan-3-one
CID 106801284
5-(dibutylamino)-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106809152
N-ethyl-N'-methyl-N'-(2-methylphenyl)pentane-1,5-diamine
CID 55072175
5-[2,2-difluoroethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106809866
N,2-dimethyl-N-propylaniline
CID 69435269
2-ethyl-2-(ethylamino)-5-[ethyl(propyl)amino]pentan-1-ol
CID 106809218

Frequently Asked Questions

What is the IUPAC name of 5-(N,2-dimethylanilino)-2-ethyl-2-(ethylamino)pentan-1-ol?
The IUPAC name of 5-(N,2-dimethylanilino)-2-ethyl-2-(ethylamino)pentan-1-ol (CID 106808939) is 5-(N,2-dimethylanilino)-2-ethyl-2-(ethylamino)pentan-1-ol.
What is the SMILES notation for 5-(N,2-dimethylanilino)-2-ethyl-2-(ethylamino)pentan-1-ol?
The canonical SMILES for 5-(N,2-dimethylanilino)-2-ethyl-2-(ethylamino)pentan-1-ol is CCNC(CC)(CO)CCCN(C)c1ccccc1C.
What is the InChIKey of 5-(N,2-dimethylanilino)-2-ethyl-2-(ethylamino)pentan-1-ol?
The InChIKey is IFRUTQYBUBSNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-17(14-20,18-6-2)12-9-13-19(4)16-11-8-7-10-15(16)3/h7-8,10-11,18,20H,5-6,9,12-14H2,1-4H3.
What are the key properties of 5-(N,2-dimethylanilino)-2-ethyl-2-(ethylamino)pentan-1-ol?
5-(N,2-dimethylanilino)-2-ethyl-2-(ethylamino)pentan-1-ol has a molecular weight of 278.44 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N,2-dimethylanilino)-2-ethyl-2-(ethylamino)pentan-1-ol is sourced from PubChem (CID 106808939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).