1-[2-[ethyl(2-methylbutyl)amino]-3-pyridinyl]ethanol

C14H24N2O — CID 114056156

IUPAC1-[2-[ethyl(2-methylbutyl)amino]-3-pyridinyl]ethanol
SMILESCCC(C)CN(CC)c1ncccc1C(C)O
InChIInChI=1S/C14H24N2O/c1-5-11(3)10-16(6-2)14-13(12(4)17)8-7-9-15-14/h7-9,11-12,17H,5-6,10H2,1-4H3
InChIKeyHTPSITBQYQKYEQ-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.01
Rot. Bonds6

About 1-[2-[ethyl(2-methylbutyl)amino]-3-pyridinyl]ethanol

1-[2-[ethyl(2-methylbutyl)amino]-3-pyridinyl]ethanol (PubChem CID 114056156) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[2-[ethyl(2-methylbutyl)amino]-3-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[2-[ethyl(2-methylbutyl)amino]-3-pyridinyl]ethanol
PubChem CID114056156
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[2-[ethyl(2-methylbutyl)amino]-3-pyridinyl]ethanol
SMILESCCC(C)CN(CC)c1ncccc1C(C)O
InChIInChI=1S/C14H24N2O/c1-5-11(3)10-16(6-2)14-13(12(4)17)8-7-9-15-14/h7-9,11-12,17H,5-6,10H2,1-4H3
InChIKeyHTPSITBQYQKYEQ-UHFFFAOYSA-N
XLogP3.01
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]amino]-2-methylpropanenitrile
CID 114055957
(1S)-1-[2-(dibutylamino)-3-pyridinyl]ethanol
CID 114055796
(1S)-1-[2-[ethyl(2-methylbutyl)amino]phenyl]ethanol
CID 79477163
(1S)-1-[2-[bis(cyclopropylmethyl)amino]-3-pyridinyl]ethanol
CID 114056124
3-amino-2-[ethyl(2-methylbutyl)amino]pyridine-4-carboxylic acid
CID 79470438
3-[ethyl(2-methylbutyl)amino]pyrazine-2-carboxylic acid
CID 79470984
3-[ethyl(2-methylbutyl)amino]pyrazine-2-carbonitrile
CID 79470228
1-[2-[pentyl(propan-2-yl)amino]-3-pyridinyl]ethanol
CID 114055973
(1R)-1-[2-[methyl(4-methylsulfanylbutan-2-yl)amino]-3-pyridinyl]ethanol
CID 114056244
(1R)-1-[5-[ethyl(2-methylbutyl)amino]-2-pyridinyl]ethanol
CID 83132263
(1R)-1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-3-pyridinyl]ethanol
CID 114056189
3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propan-1-ol
CID 114055963

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(2-methylbutyl)amino]-3-pyridinyl]ethanol?
The IUPAC name of 1-[2-[ethyl(2-methylbutyl)amino]-3-pyridinyl]ethanol (CID 114056156) is 1-[2-[ethyl(2-methylbutyl)amino]-3-pyridinyl]ethanol.
What is the SMILES notation for 1-[2-[ethyl(2-methylbutyl)amino]-3-pyridinyl]ethanol?
The canonical SMILES for 1-[2-[ethyl(2-methylbutyl)amino]-3-pyridinyl]ethanol is CCC(C)CN(CC)c1ncccc1C(C)O.
What is the InChIKey of 1-[2-[ethyl(2-methylbutyl)amino]-3-pyridinyl]ethanol?
The InChIKey is HTPSITBQYQKYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-11(3)10-16(6-2)14-13(12(4)17)8-7-9-15-14/h7-9,11-12,17H,5-6,10H2,1-4H3.
What are the key properties of 1-[2-[ethyl(2-methylbutyl)amino]-3-pyridinyl]ethanol?
1-[2-[ethyl(2-methylbutyl)amino]-3-pyridinyl]ethanol has a molecular weight of 236.36 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(2-methylbutyl)amino]-3-pyridinyl]ethanol is sourced from PubChem (CID 114056156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).