1-[5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-pyridinyl]ethanol

C14H25N3O — CID 103189789

IUPAC1-[5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-pyridinyl]ethanol
SMILESCCN(c1ccc(C(C)O)nc1)C(C)CN(C)C
InChIInChI=1S/C14H25N3O/c1-6-17(11(2)10-16(4)5)13-7-8-14(12(3)18)15-9-13/h7-9,11-12,18H,6,10H2,1-5H3
InChIKeyMQQQPSWNJFSMSE-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.91
Rot. Bonds6

About 1-[5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-pyridinyl]ethanol

1-[5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-pyridinyl]ethanol (PubChem CID 103189789) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-pyridinyl]ethanol
PubChem CID103189789
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-[5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-pyridinyl]ethanol
SMILESCCN(c1ccc(C(C)O)nc1)C(C)CN(C)C
InChIInChI=1S/C14H25N3O/c1-6-17(11(2)10-16(4)5)13-7-8-14(12(3)18)15-9-13/h7-9,11-12,18H,6,10H2,1-5H3
InChIKeyMQQQPSWNJFSMSE-UHFFFAOYSA-N
XLogP1.91
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanol
CID 83132626
2-N-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189419
2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-[1-(propylamino)ethyl]-3-pyridinyl]propane-1,2-diamine
CID 103189382
1-[5-[2-methylpropyl(pentan-3-yl)amino]-2-pyridinyl]ethanol
CID 83131569
(1R)-1-[5-[methyl(pentan-2-yl)amino]-2-pyridinyl]ethanol
CID 83131859
(1S)-1-[5-[2-(dimethylamino)ethyl-propylamino]-2-pyridinyl]ethanol
CID 83132568
(1R)-1-[5-[ethyl(2-methylbutyl)amino]-2-pyridinyl]ethanol
CID 83132263
(1R)-1-[5-[2,2-difluoroethyl(methyl)amino]-2-pyridinyl]ethanol
CID 104871019
(1S)-1-[5-[ethyl(2-methylprop-2-enyl)amino]-2-pyridinyl]ethanol
CID 83131507
1-[5-[cyclopentyl(methyl)amino]-2-pyridinyl]ethanol
CID 83131595
(1S)-1-[5-[methyl(prop-2-ynyl)amino]-2-pyridinyl]ethanol
CID 83132268
(1R)-1-[5-[methyl(prop-2-enyl)amino]-2-pyridinyl]ethanol
CID 83132695

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-pyridinyl]ethanol?
The IUPAC name of 1-[5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-pyridinyl]ethanol (CID 103189789) is 1-[5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-pyridinyl]ethanol.
What is the SMILES notation for 1-[5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-pyridinyl]ethanol?
The canonical SMILES for 1-[5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-pyridinyl]ethanol is CCN(c1ccc(C(C)O)nc1)C(C)CN(C)C.
What is the InChIKey of 1-[5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-pyridinyl]ethanol?
The InChIKey is MQQQPSWNJFSMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-6-17(11(2)10-16(4)5)13-7-8-14(12(3)18)15-9-13/h7-9,11-12,18H,6,10H2,1-5H3.
What are the key properties of 1-[5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-pyridinyl]ethanol?
1-[5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-pyridinyl]ethanol has a molecular weight of 251.37 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-pyridinyl]ethanol is sourced from PubChem (CID 103189789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).