(1S)-1-[5-[methyl(pent-4-enyl)amino]-2-pyridinyl]ethanol

C13H20N2O — CID 104869711

IUPAC(1S)-1-[5-[methyl(pent-4-enyl)amino]-2-pyridinyl]ethanol
SMILESC=CCCCN(C)c1ccc([C@H](C)O)nc1
InChIInChI=1S/C13H20N2O/c1-4-5-6-9-15(3)12-7-8-13(11(2)16)14-10-12/h4,7-8,10-11,16H,1,5-6,9H2,2-3H3/t11-/m0/s1
InChIKeyKQAGJWMDKCBHMO-NSHDSACASA-N
MW220.32 g/mol
LogP2.54
Rot. Bonds6

About (1S)-1-[5-[methyl(pent-4-enyl)amino]-2-pyridinyl]ethanol

(1S)-1-[5-[methyl(pent-4-enyl)amino]-2-pyridinyl]ethanol (PubChem CID 104869711) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (1S)-1-[5-[methyl(pent-4-enyl)amino]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-[methyl(pent-4-enyl)amino]-2-pyridinyl]ethanol
PubChem CID104869711
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(1S)-1-[5-[methyl(pent-4-enyl)amino]-2-pyridinyl]ethanol
SMILESC=CCCCN(C)c1ccc([C@H](C)O)nc1
InChIInChI=1S/C13H20N2O/c1-4-5-6-9-15(3)12-7-8-13(11(2)16)14-10-12/h4,7-8,10-11,16H,1,5-6,9H2,2-3H3/t11-/m0/s1
InChIKeyKQAGJWMDKCBHMO-NSHDSACASA-N
XLogP2.54
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[5-[methyl(prop-2-enyl)amino]-2-pyridinyl]ethanol
CID 83132695
(1R)-1-[5-[3-methoxypropyl(methyl)amino]-2-pyridinyl]ethanol
CID 83132161
(1R)-1-[4-[methyl(pent-4-enyl)amino]phenyl]ethanol
CID 104869719
3-[[6-(1-hydroxyethyl)-3-pyridinyl]-methylamino]propanenitrile
CID 83131425
(1R)-1-[5-[2,2-difluoroethyl(methyl)amino]-2-pyridinyl]ethanol
CID 104871019
(1S)-1-[5-[methyl(prop-2-ynyl)amino]-2-pyridinyl]ethanol
CID 83132268
(1S)-1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]ethanol
CID 83132028
(1R)-1-[5-[cyclopropylmethyl(methyl)amino]-2-pyridinyl]ethanol
CID 83132456
(1S)-1-[5-[(4-fluorophenyl)methyl-methylamino]-2-pyridinyl]ethanol
CID 83131523
(1S)-1-[5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-pyridinyl]ethanol
CID 83132424
1-[5-[methyl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 112585264
(1S)-1-[5-[(4-methoxyphenyl)methyl-methylamino]-2-pyridinyl]ethanol
CID 83131957

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[methyl(pent-4-enyl)amino]-2-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[5-[methyl(pent-4-enyl)amino]-2-pyridinyl]ethanol (CID 104869711) is (1S)-1-[5-[methyl(pent-4-enyl)amino]-2-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[5-[methyl(pent-4-enyl)amino]-2-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[5-[methyl(pent-4-enyl)amino]-2-pyridinyl]ethanol is C=CCCCN(C)c1ccc([C@H](C)O)nc1.
What is the InChIKey of (1S)-1-[5-[methyl(pent-4-enyl)amino]-2-pyridinyl]ethanol?
The InChIKey is KQAGJWMDKCBHMO-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-5-6-9-15(3)12-7-8-13(11(2)16)14-10-12/h4,7-8,10-11,16H,1,5-6,9H2,2-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-[5-[methyl(pent-4-enyl)amino]-2-pyridinyl]ethanol?
(1S)-1-[5-[methyl(pent-4-enyl)amino]-2-pyridinyl]ethanol has a molecular weight of 220.32 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[methyl(pent-4-enyl)amino]-2-pyridinyl]ethanol is sourced from PubChem (CID 104869711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).