2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentan-1-ol

C16H28N2O — CID 106808963

IUPAC2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentan-1-ol
SMILESCCC(N)(CO)CCCN(C)c1ccc(C)cc1C
InChIInChI=1S/C16H28N2O/c1-5-16(17,12-19)9-6-10-18(4)15-8-7-13(2)11-14(15)3/h7-8,11,19H,5-6,9-10,12,17H2,1-4H3
InChIKeyLDPZSLGPJAEEDS-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.62
Rot. Bonds7

About 2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentan-1-ol

2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentan-1-ol (PubChem CID 106808963) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentan-1-ol.

Molecular Properties

Compound Name2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentan-1-ol
PubChem CID106808963
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentan-1-ol
SMILESCCC(N)(CO)CCCN(C)c1ccc(C)cc1C
InChIInChI=1S/C16H28N2O/c1-5-16(17,12-19)9-6-10-18(4)15-8-7-13(2)11-14(15)3/h7-8,11,19H,5-6,9-10,12,17H2,1-4H3
InChIKeyLDPZSLGPJAEEDS-UHFFFAOYSA-N
XLogP2.62
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentanenitrile
CID 106803450
N,2,4-trimethyl-N-pent-4-ynylaniline
CID 115872858
2-methyl-2-(N,2,4-trimethylanilino)propan-1-ol
CID 115133229
2-amino-2-ethyl-5-[methyl(pentan-3-yl)amino]pentan-1-ol
CID 106809263
2-(propylamino)-4-(N,2,4-trimethylanilino)butan-1-ol
CID 64790360
1-phenyl-3-(N,2,4-trimethylanilino)propan-1-ol
CID 62612935
5-(N,2-dimethylanilino)-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106808939
3-methyl-4-[methyl(propyl)amino]benzoic acid
CID 62120072
2-methyl-2-[(N,2,4-trimethylanilino)methyl]pentanoic acid
CID 62272164
N-(3,3-diethoxypropyl)-N,2,4-trimethylaniline
CID 55248017
N-cyclopentyl-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 62563445
N-cyclopropyl-N'-(2,4-dimethylphenyl)-N'-methylpentane-1,5-diamine
CID 62434960

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentan-1-ol?
The IUPAC name of 2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentan-1-ol (CID 106808963) is 2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentan-1-ol.
What is the SMILES notation for 2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentan-1-ol?
The canonical SMILES for 2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentan-1-ol is CCC(N)(CO)CCCN(C)c1ccc(C)cc1C.
What is the InChIKey of 2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentan-1-ol?
The InChIKey is LDPZSLGPJAEEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-16(17,12-19)9-6-10-18(4)15-8-7-13(2)11-14(15)3/h7-8,11,19H,5-6,9-10,12,17H2,1-4H3.
What are the key properties of 2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentan-1-ol?
2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentan-1-ol has a molecular weight of 264.41 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentan-1-ol is sourced from PubChem (CID 106808963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).