N-(2-methoxypropyl)-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine

C16H29N3O — CID 102700817

IUPACN-(2-methoxypropyl)-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCOC(C)CNc1nc(C)cc(C)c1CNCC(C)C
InChIInChI=1S/C16H29N3O/c1-11(2)8-17-10-15-12(3)7-13(4)19-16(15)18-9-14(5)20-6/h7,11,14,17H,8-10H2,1-6H3,(H,18,19)
InChIKeyZJRBRMAIVRYLTO-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.89
Rot. Bonds8

About N-(2-methoxypropyl)-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine

N-(2-methoxypropyl)-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine (PubChem CID 102700817) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-(2-methoxypropyl)-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(2-methoxypropyl)-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
PubChem CID102700817
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-(2-methoxypropyl)-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCOC(C)CNc1nc(C)cc(C)c1CNCC(C)C
InChIInChI=1S/C16H29N3O/c1-11(2)8-17-10-15-12(3)7-13(4)19-16(15)18-9-14(5)20-6/h7,11,14,17H,8-10H2,1-6H3,(H,18,19)
InChIKeyZJRBRMAIVRYLTO-UHFFFAOYSA-N
XLogP2.89
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxypropyl)-6-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 102700801
N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62288248
2-(2-methoxypropylamino)-4,6-dimethylpyridine-3-carbothioamide
CID 102698288
N,4,6-trimethyl-N-(2-methylpropyl)-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62279387
N-ethyl-N-(2-methoxyethyl)-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62293749
N-cyclopropyl-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62279375
N,4,6-trimethyl-3-[(2-methylpropylamino)methyl]-N-pentan-3-ylpyridin-2-amine
CID 63487572
N-[[2-(3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62294700
5-chloro-N-(2-methoxypropyl)-6-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 102700797
N-[[4,6-dimethyl-2-(oxolan-3-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63556322
2-(2-methoxypropylamino)-6-methylpyridine-3-carboxylic acid
CID 102700954
N-[[4,6-dimethyl-2-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62284032

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine?
The IUPAC name of N-(2-methoxypropyl)-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine (CID 102700817) is N-(2-methoxypropyl)-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N-(2-methoxypropyl)-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine?
The canonical SMILES for N-(2-methoxypropyl)-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine is COC(C)CNc1nc(C)cc(C)c1CNCC(C)C.
What is the InChIKey of N-(2-methoxypropyl)-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine?
The InChIKey is ZJRBRMAIVRYLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-11(2)8-17-10-15-12(3)7-13(4)19-16(15)18-9-14(5)20-6/h7,11,14,17H,8-10H2,1-6H3,(H,18,19).
What are the key properties of N-(2-methoxypropyl)-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine?
N-(2-methoxypropyl)-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine has a molecular weight of 279.43 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 102700817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).