N-methyl-N-(3-methylphenyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine

C18H25N3 — CID 105073335

IUPACN-methyl-N-(3-methylphenyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine
SMILESCc1cccc(N(C)c2cnccc2CNCC(C)C)c1
InChIInChI=1S/C18H25N3/c1-14(2)11-20-12-16-8-9-19-13-18(16)21(4)17-7-5-6-15(3)10-17/h5-10,13-14,20H,11-12H2,1-4H3
InChIKeyNQEXVOLDRZCMIO-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.90
Rot. Bonds6

About N-methyl-N-(3-methylphenyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine

N-methyl-N-(3-methylphenyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine (PubChem CID 105073335) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-methyl-N-(3-methylphenyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methylphenyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine
PubChem CID105073335
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-methyl-N-(3-methylphenyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine
SMILESCc1cccc(N(C)c2cnccc2CNCC(C)C)c1
InChIInChI=1S/C18H25N3/c1-14(2)11-20-12-16-8-9-19-13-18(16)21(4)17-7-5-6-15(3)10-17/h5-10,13-14,20H,11-12H2,1-4H3
InChIKeyNQEXVOLDRZCMIO-UHFFFAOYSA-N
XLogP3.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylpyridin-3-amine
CID 105073319
N-(3,5-dimethylphenyl)-4-(ethylaminomethyl)-N-methylpyridin-3-amine
CID 105073467
N-ethyl-N-(1-methoxypropan-2-yl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine
CID 105073191
N-methyl-4-[(2-methylpropylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-3-amine
CID 105073871
N-methyl-N-(2-methylcyclohexyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine
CID 105073520
N-ethyl-3-[(2-methylpropylamino)methyl]-N-phenylpyridin-4-amine
CID 81249699
N-cyclopropyl-N-(2-methoxyethyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine
CID 105073396
4-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyridin-3-amine
CID 105074326
N-butan-2-yl-N-butyl-4-[(2-methylpropylamino)methyl]pyridin-3-amine
CID 105073725
N-[[3-(3-chlorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105075399
N-(3-fluorophenyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62294691
N-[[3-(3-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105075392

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylphenyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine?
The IUPAC name of N-methyl-N-(3-methylphenyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine (CID 105073335) is N-methyl-N-(3-methylphenyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine.
What is the SMILES notation for N-methyl-N-(3-methylphenyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine?
The canonical SMILES for N-methyl-N-(3-methylphenyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine is Cc1cccc(N(C)c2cnccc2CNCC(C)C)c1.
What is the InChIKey of N-methyl-N-(3-methylphenyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine?
The InChIKey is NQEXVOLDRZCMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14(2)11-20-12-16-8-9-19-13-18(16)21(4)17-7-5-6-15(3)10-17/h5-10,13-14,20H,11-12H2,1-4H3.
What are the key properties of N-methyl-N-(3-methylphenyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine?
N-methyl-N-(3-methylphenyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine has a molecular weight of 283.42 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylphenyl)-4-[(2-methylpropylamino)methyl]pyridin-3-amine is sourced from PubChem (CID 105073335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).