N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-propan-2-yloxyethyl)pyridin-2-amine

C16H29N3O — CID 81057672

IUPACN-methyl-5-[(2-methylpropylamino)methyl]-N-(2-propan-2-yloxyethyl)pyridin-2-amine
SMILESCC(C)CNCc1ccc(N(C)CCOC(C)C)nc1
InChIInChI=1S/C16H29N3O/c1-13(2)10-17-11-15-6-7-16(18-12-15)19(5)8-9-20-14(3)4/h6-7,12-14,17H,8-11H2,1-5H3
InChIKeyQOSVQCYRCCGAIJ-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.69
Rot. Bonds9

About N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-propan-2-yloxyethyl)pyridin-2-amine

N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-propan-2-yloxyethyl)pyridin-2-amine (PubChem CID 81057672) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-propan-2-yloxyethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-[(2-methylpropylamino)methyl]-N-(2-propan-2-yloxyethyl)pyridin-2-amine
PubChem CID81057672
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-methyl-5-[(2-methylpropylamino)methyl]-N-(2-propan-2-yloxyethyl)pyridin-2-amine
SMILESCC(C)CNCc1ccc(N(C)CCOC(C)C)nc1
InChIInChI=1S/C16H29N3O/c1-13(2)10-17-11-15-6-7-16(18-12-15)19(5)8-9-20-14(3)4/h6-7,12-14,17H,8-11H2,1-5H3
InChIKeyQOSVQCYRCCGAIJ-UHFFFAOYSA-N
XLogP2.69
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethylpropyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62287062
N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine
CID 82960066
N-methyl-2-[methyl-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]acetamide
CID 80630475
N-methyl-5-[(2-methylpropylamino)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
CID 63837746
N-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 81056741
N,N-dimethyl-N'-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-N'-propylethane-1,2-diamine
CID 62292737
N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62280275
N-cyclopropyl-N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62295141
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62288831
N-butyl-N-cyclopropyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62283589
2-[[5-(ethylaminomethyl)-2-pyridinyl]-methylamino]ethanol
CID 80630489
5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62282303

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-propan-2-yloxyethyl)pyridin-2-amine?
The IUPAC name of N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-propan-2-yloxyethyl)pyridin-2-amine (CID 81057672) is N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-propan-2-yloxyethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-propan-2-yloxyethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-propan-2-yloxyethyl)pyridin-2-amine is CC(C)CNCc1ccc(N(C)CCOC(C)C)nc1.
What is the InChIKey of N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-propan-2-yloxyethyl)pyridin-2-amine?
The InChIKey is QOSVQCYRCCGAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-13(2)10-17-11-15-6-7-16(18-12-15)19(5)8-9-20-14(3)4/h6-7,12-14,17H,8-11H2,1-5H3.
What are the key properties of N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-propan-2-yloxyethyl)pyridin-2-amine?
N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-propan-2-yloxyethyl)pyridin-2-amine has a molecular weight of 279.43 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-propan-2-yloxyethyl)pyridin-2-amine is sourced from PubChem (CID 81057672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).