2-ethyl-2-[(quinolin-6-ylamino)methyl]butan-1-ol

C16H22N2O — CID 81418945

IUPAC2-ethyl-2-[(quinolin-6-ylamino)methyl]butan-1-ol
SMILESCCC(CC)(CO)CNc1ccc2ncccc2c1
InChIInChI=1S/C16H22N2O/c1-3-16(4-2,12-19)11-18-14-7-8-15-13(10-14)6-5-9-17-15/h5-10,18-19H,3-4,11-12H2,1-2H3
InChIKeyZROHHBWYJLMDEE-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.45
Rot. Bonds6

About 2-ethyl-2-[(quinolin-6-ylamino)methyl]butan-1-ol

2-ethyl-2-[(quinolin-6-ylamino)methyl]butan-1-ol (PubChem CID 81418945) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-ethyl-2-[(quinolin-6-ylamino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(quinolin-6-ylamino)methyl]butan-1-ol
PubChem CID81418945
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-ethyl-2-[(quinolin-6-ylamino)methyl]butan-1-ol
SMILESCCC(CC)(CO)CNc1ccc2ncccc2c1
InChIInChI=1S/C16H22N2O/c1-3-16(4-2,12-19)11-18-14-7-8-15-13(10-14)6-5-9-17-15/h5-10,18-19H,3-4,11-12H2,1-2H3
InChIKeyZROHHBWYJLMDEE-UHFFFAOYSA-N
XLogP3.45
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylbutyl)quinolin-6-amine
CID 62950963
2-amino-2-methyl-N-quinolin-6-ylbutanamide
CID 79811443
2-ethyl-2-[(pyrimidin-2-ylamino)methyl]butan-1-ol
CID 75431914
2-amino-2-ethyl-N-quinolin-6-ylbutanamide
CID 79814610
2-ethyl-2-[(3-ethylanilino)methyl]butan-1-ol
CID 81411805
3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzamide
CID 81411204
2,6-difluoro-4-[(quinolin-6-ylamino)methyl]phenol
CID 79883860
N-quinolin-6-ylethanesulfonamide
CID 64584546
2-amino-2-methyl-N-quinolin-6-ylpropanamide
CID 62636163
methyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-2-carboxylate
CID 103844394
N-[(4-ethoxyphenyl)methyl]quinolin-6-amine
CID 62636132
2-[(4-chloroanilino)methyl]-2-ethylbutan-1-ol
CID 81410986

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(quinolin-6-ylamino)methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[(quinolin-6-ylamino)methyl]butan-1-ol (CID 81418945) is 2-ethyl-2-[(quinolin-6-ylamino)methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(quinolin-6-ylamino)methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[(quinolin-6-ylamino)methyl]butan-1-ol is CCC(CC)(CO)CNc1ccc2ncccc2c1.
What is the InChIKey of 2-ethyl-2-[(quinolin-6-ylamino)methyl]butan-1-ol?
The InChIKey is ZROHHBWYJLMDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-16(4-2,12-19)11-18-14-7-8-15-13(10-14)6-5-9-17-15/h5-10,18-19H,3-4,11-12H2,1-2H3.
What are the key properties of 2-ethyl-2-[(quinolin-6-ylamino)methyl]butan-1-ol?
2-ethyl-2-[(quinolin-6-ylamino)methyl]butan-1-ol has a molecular weight of 258.37 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(quinolin-6-ylamino)methyl]butan-1-ol is sourced from PubChem (CID 81418945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).