1-[2-[pentyl(propan-2-yl)amino]-3-pyridinyl]ethanol

C15H26N2O — CID 114055973

IUPAC1-[2-[pentyl(propan-2-yl)amino]-3-pyridinyl]ethanol
SMILESCCCCCN(c1ncccc1C(C)O)C(C)C
InChIInChI=1S/C15H26N2O/c1-5-6-7-11-17(12(2)3)15-14(13(4)18)9-8-10-16-15/h8-10,12-13,18H,5-7,11H2,1-4H3
InChIKeyBTBKUJXOQUGBFE-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.54
Rot. Bonds7

About 1-[2-[pentyl(propan-2-yl)amino]-3-pyridinyl]ethanol

1-[2-[pentyl(propan-2-yl)amino]-3-pyridinyl]ethanol (PubChem CID 114055973) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[2-[pentyl(propan-2-yl)amino]-3-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[2-[pentyl(propan-2-yl)amino]-3-pyridinyl]ethanol
PubChem CID114055973
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-[2-[pentyl(propan-2-yl)amino]-3-pyridinyl]ethanol
SMILESCCCCCN(c1ncccc1C(C)O)C(C)C
InChIInChI=1S/C15H26N2O/c1-5-6-7-11-17(12(2)3)15-14(13(4)18)9-8-10-16-15/h8-10,12-13,18H,5-7,11H2,1-4H3
InChIKeyBTBKUJXOQUGBFE-UHFFFAOYSA-N
XLogP3.54
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propan-1-ol
CID 114055963
(1S)-1-[2-(dibutylamino)-3-pyridinyl]ethanol
CID 114055796
3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propanenitrile
CID 114055969
(1S)-1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-3-pyridinyl]ethanol
CID 114056004
3-chloro-N-(3-chloropropyl)-N-propan-2-ylpyridin-2-amine
CID 63388310
1-[2-[ethyl(2-methylbutyl)amino]-3-pyridinyl]ethanol
CID 114056156
2-(1-hydroxyethyl)-5-[pentyl(propan-2-yl)amino]phenol
CID 79604182
(1S)-1-[2-[2-(2-hydroxyethoxy)ethyl-methylamino]-3-pyridinyl]ethanol
CID 114243207
N'-(3-fluoro-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62734529
3-chloro-2-[pentyl(propan-2-yl)amino]pyridine-4-carbonitrile
CID 107057326
5-N-pentyl-5-N-propan-2-ylquinoline-5,8-diamine
CID 63402856
(1S)-1-[2-[methyl(pentyl)amino]phenyl]ethanol
CID 63370824

Frequently Asked Questions

What is the IUPAC name of 1-[2-[pentyl(propan-2-yl)amino]-3-pyridinyl]ethanol?
The IUPAC name of 1-[2-[pentyl(propan-2-yl)amino]-3-pyridinyl]ethanol (CID 114055973) is 1-[2-[pentyl(propan-2-yl)amino]-3-pyridinyl]ethanol.
What is the SMILES notation for 1-[2-[pentyl(propan-2-yl)amino]-3-pyridinyl]ethanol?
The canonical SMILES for 1-[2-[pentyl(propan-2-yl)amino]-3-pyridinyl]ethanol is CCCCCN(c1ncccc1C(C)O)C(C)C.
What is the InChIKey of 1-[2-[pentyl(propan-2-yl)amino]-3-pyridinyl]ethanol?
The InChIKey is BTBKUJXOQUGBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-6-7-11-17(12(2)3)15-14(13(4)18)9-8-10-16-15/h8-10,12-13,18H,5-7,11H2,1-4H3.
What are the key properties of 1-[2-[pentyl(propan-2-yl)amino]-3-pyridinyl]ethanol?
1-[2-[pentyl(propan-2-yl)amino]-3-pyridinyl]ethanol has a molecular weight of 250.39 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[pentyl(propan-2-yl)amino]-3-pyridinyl]ethanol is sourced from PubChem (CID 114055973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).