(2S)-2-[2-(6-amino-3-pyridinyl)ethyl-ethylamino]propan-1-ol

C12H21N3O — CID 167160691

IUPAC(2S)-2-[2-(6-amino-3-pyridinyl)ethyl-ethylamino]propan-1-ol
SMILESCCN(CCc1ccc(N)nc1)[C@@H](C)CO
InChIInChI=1S/C12H21N3O/c1-3-15(10(2)9-16)7-6-11-4-5-12(13)14-8-11/h4-5,8,10,16H,3,6-7,9H2,1-2H3,(H2,13,14)/t10-/m0/s1
InChIKeyUFVJQTJWTHTUDQ-JTQLQIEISA-N
MW223.32 g/mol
LogP0.91
Rot. Bonds6

About (2S)-2-[2-(6-amino-3-pyridinyl)ethyl-ethylamino]propan-1-ol

(2S)-2-[2-(6-amino-3-pyridinyl)ethyl-ethylamino]propan-1-ol (PubChem CID 167160691) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (2S)-2-[2-(6-amino-3-pyridinyl)ethyl-ethylamino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[2-(6-amino-3-pyridinyl)ethyl-ethylamino]propan-1-ol
PubChem CID167160691
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(2S)-2-[2-(6-amino-3-pyridinyl)ethyl-ethylamino]propan-1-ol
SMILESCCN(CCc1ccc(N)nc1)[C@@H](C)CO
InChIInChI=1S/C12H21N3O/c1-3-15(10(2)9-16)7-6-11-4-5-12(13)14-8-11/h4-5,8,10,16H,3,6-7,9H2,1-2H3,(H2,13,14)/t10-/m0/s1
InChIKeyUFVJQTJWTHTUDQ-JTQLQIEISA-N
XLogP0.91
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-amino-3-pyridinyl)methyl-methylamino]propan-1-ol
CID 104554394
4-[2-[ethyl(propan-2-yl)amino]ethyl]aniline
CID 43265922
5-[(4S)-4-aminopentyl]pyridin-2-amine;dihydrochloride
CID 178024498
(2S)-2-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]-ethylamino]butan-1-ol
CID 143143487
5-(2-methylpentyl)pyridin-2-amine
CID 129191310
5-[3-(2-methylpropylamino)butyl]pyridin-2-amine
CID 69324274
3-N-ethyl-3-N-(2-phenylethyl)butane-1,3-diamine
CID 54855366
5-(butan-2-ylsulfanylmethyl)pyridin-2-amine
CID 62187525
5-[[butan-2-yl(ethyl)amino]methyl]pyrazin-2-amine
CID 103055611
2-[(6-amino-3-pyridinyl)amino]propan-1-ol
CID 43498943
4-[2-[butan-2-yl(ethyl)amino]ethyl]benzoic acid
CID 167283550
(2S)-2-[benzyl(ethyl)amino]propan-1-ol
CID 14327251

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(6-amino-3-pyridinyl)ethyl-ethylamino]propan-1-ol?
The IUPAC name of (2S)-2-[2-(6-amino-3-pyridinyl)ethyl-ethylamino]propan-1-ol (CID 167160691) is (2S)-2-[2-(6-amino-3-pyridinyl)ethyl-ethylamino]propan-1-ol.
What is the SMILES notation for (2S)-2-[2-(6-amino-3-pyridinyl)ethyl-ethylamino]propan-1-ol?
The canonical SMILES for (2S)-2-[2-(6-amino-3-pyridinyl)ethyl-ethylamino]propan-1-ol is CCN(CCc1ccc(N)nc1)[C@@H](C)CO.
What is the InChIKey of (2S)-2-[2-(6-amino-3-pyridinyl)ethyl-ethylamino]propan-1-ol?
The InChIKey is UFVJQTJWTHTUDQ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-15(10(2)9-16)7-6-11-4-5-12(13)14-8-11/h4-5,8,10,16H,3,6-7,9H2,1-2H3,(H2,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-[2-(6-amino-3-pyridinyl)ethyl-ethylamino]propan-1-ol?
(2S)-2-[2-(6-amino-3-pyridinyl)ethyl-ethylamino]propan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(6-amino-3-pyridinyl)ethyl-ethylamino]propan-1-ol is sourced from PubChem (CID 167160691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).