N-methyl-2-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)aniline

C17H23N3 — CID 43563622

IUPACN-methyl-2-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)aniline
SMILESCC(C)NCc1ccccc1N(C)Cc1cccnc1
InChIInChI=1S/C17H23N3/c1-14(2)19-12-16-8-4-5-9-17(16)20(3)13-15-7-6-10-18-11-15/h4-11,14,19H,12-13H2,1-3H3
InChIKeyQSSUYQOYXLLGNQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.22
Rot. Bonds6

About N-methyl-2-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)aniline

N-methyl-2-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)aniline (PubChem CID 43563622) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-methyl-2-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound NameN-methyl-2-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)aniline
PubChem CID43563622
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-methyl-2-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)aniline
SMILESCC(C)NCc1ccccc1N(C)Cc1cccnc1
InChIInChI=1S/C17H23N3/c1-14(2)19-12-16-8-4-5-9-17(16)20(3)13-15-7-6-10-18-11-15/h4-11,14,19H,12-13H2,1-3H3
InChIKeyQSSUYQOYXLLGNQ-UHFFFAOYSA-N
XLogP3.22
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43280656
cyclohexane;[2-[(propan-2-ylamino)methyl]phenyl]-(pyridin-3-ylmethyl)carbamic acid
CID 71147510
N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 63553389
2-chloro-N-methyl-4-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)aniline
CID 81147194
N-[(2-bromophenyl)methyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81249514
N-[(3-chlorophenyl)methyl]-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105073225
2-(1-aminoethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 43563493
N-methyl-5-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)pyrazin-2-amine
CID 107379230
N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43281572
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline
CID 63025572
N-methyl-2-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)pyridin-4-amine
CID 62282233
N-[[2-methyl-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62431962

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of N-methyl-2-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)aniline (CID 43563622) is N-methyl-2-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for N-methyl-2-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for N-methyl-2-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)aniline is CC(C)NCc1ccccc1N(C)Cc1cccnc1.
What is the InChIKey of N-methyl-2-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is QSSUYQOYXLLGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-14(2)19-12-16-8-4-5-9-17(16)20(3)13-15-7-6-10-18-11-15/h4-11,14,19H,12-13H2,1-3H3.
What are the key properties of N-methyl-2-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)aniline?
N-methyl-2-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)aniline has a molecular weight of 269.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 43563622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).