3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentan-1-ol

C14H25N3O — CID 113459497

IUPAC3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentan-1-ol
SMILESCCC(N)C(CO)N(CC)Cc1cccc(C)n1
InChIInChI=1S/C14H25N3O/c1-4-13(15)14(10-18)17(5-2)9-12-8-6-7-11(3)16-12/h6-8,13-14,18H,4-5,9-10,15H2,1-3H3
InChIKeyCCSATZBVQJFQHR-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.31
Rot. Bonds7

About 3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentan-1-ol

3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentan-1-ol (PubChem CID 113459497) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentan-1-ol.

Molecular Properties

Compound Name3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentan-1-ol
PubChem CID113459497
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentan-1-ol
SMILESCCC(N)C(CO)N(CC)Cc1cccc(C)n1
InChIInChI=1S/C14H25N3O/c1-4-13(15)14(10-18)17(5-2)9-12-8-6-7-11(3)16-12/h6-8,13-14,18H,4-5,9-10,15H2,1-3H3
InChIKeyCCSATZBVQJFQHR-UHFFFAOYSA-N
XLogP1.31
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethanol, 2-((2-pyridinylmethyl)amino)-
CID 81135
Nsc65650
CID 248485
(R)-2-(((6-(4,4-difluorocyclohex-1-en-1-yl)-3-fluoropyridin-2-yl)methyl)amino)-3-methylbutan-1-ol
CID 68312351
(2R)-2-({[6-(4,4-dimethylcyclohexyl)-3-fluoropyridin-2-yl]methyl}amino)-3-methylbutan-1-ol
CID 68312355
(2R)-2-({[6-(4,4-difluorocyclohexyl)-3-fluoropyridin-2-yl]methyl}amino)-3-methylbutan-1-ol
CID 68312506
(2R)-2-[[6-(cyclohexen-1-yl)-3-fluoro-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312534
(2R)-2-[[3-fluoro-6-(1-phenylethenyl)-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312573
(2R)-2-(((3-fluoro-6-(4-(trifluoromethyl)cyclohex-1-en-1-yl)pyridin-2-yl)methyl)amino)-3-methylbutan-1-ol
CID 68312606
(2R)-2-[[6-(3-cyclohexylprop-1-ynyl)-3-fluoro-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312660
(2R)-2-({[6-(4-ethylcyclohexyl)-3-fluoropyridin-2-yl]methyl}amino)-3-methylbutan-1-ol
CID 68312693
(2R)-2-{[(6-cyclopentyl-3-fluoropyridin-2-yl)methyl]amino}-3-methylbutan-1-ol
CID 68312698
(2R)-2-[[3-fluoro-6-[(E)-2-(3-fluorophenyl)ethenyl]-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312727

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentan-1-ol?
The IUPAC name of 3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentan-1-ol (CID 113459497) is 3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentan-1-ol.
What is the SMILES notation for 3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentan-1-ol?
The canonical SMILES for 3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentan-1-ol is CCC(N)C(CO)N(CC)Cc1cccc(C)n1.
What is the InChIKey of 3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentan-1-ol?
The InChIKey is CCSATZBVQJFQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-13(15)14(10-18)17(5-2)9-12-8-6-7-11(3)16-12/h6-8,13-14,18H,4-5,9-10,15H2,1-3H3.
What are the key properties of 3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentan-1-ol?
3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pentan-1-ol is sourced from PubChem (CID 113459497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).