4-[[(3-methyl-2-pyridinyl)methyl-propylamino]methyl]aniline

C17H23N3 — CID 115982035

IUPAC4-[[(3-methyl-2-pyridinyl)methyl-propylamino]methyl]aniline
SMILESCCCN(Cc1ccc(N)cc1)Cc1ncccc1C
InChIInChI=1S/C17H23N3/c1-3-11-20(12-15-6-8-16(18)9-7-15)13-17-14(2)5-4-10-19-17/h4-10H,3,11-13,18H2,1-2H3
InChIKeyMCQZYJLRHNICAW-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.38
Rot. Bonds6

About 4-[[(3-methyl-2-pyridinyl)methyl-propylamino]methyl]aniline

4-[[(3-methyl-2-pyridinyl)methyl-propylamino]methyl]aniline (PubChem CID 115982035) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[[(3-methyl-2-pyridinyl)methyl-propylamino]methyl]aniline.

Molecular Properties

Compound Name4-[[(3-methyl-2-pyridinyl)methyl-propylamino]methyl]aniline
PubChem CID115982035
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-[[(3-methyl-2-pyridinyl)methyl-propylamino]methyl]aniline
SMILESCCCN(Cc1ccc(N)cc1)Cc1ncccc1C
InChIInChI=1S/C17H23N3/c1-3-11-20(12-15-6-8-16(18)9-7-15)13-17-14(2)5-4-10-19-17/h4-10H,3,11-13,18H2,1-2H3
InChIKeyMCQZYJLRHNICAW-UHFFFAOYSA-N
XLogP3.38
TPSA42.15 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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[(3,5-dimethylphenyl)methyl-propylamino]methyl]aniline
CID 61029995
N'-ethyl-N'-[(3-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 112649922
4-[[(6-methyl-2-pyridinyl)methyl-propylamino]methyl]aniline
CID 79267111
4-[[(4-methoxyphenyl)methyl-propylamino]methyl]aniline
CID 43459594
4-[[(3-bromophenyl)methyl-propylamino]methyl]aniline
CID 43459560
2-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]-2-N-propylbutane-1,2-diamine
CID 112649945
2-[[4-aminobutyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]pyridin-3-ol
CID 11370051
4-[[(2-methyltetrazol-5-yl)methyl-propylamino]methyl]aniline
CID 107043654
N'-[(3-fluoro-2-pyridinyl)methyl]-N'-[(3-methyl-2-pyridinyl)methyl]butane-1,4-diamine
CID 11347188
4-[[hexyl(propyl)amino]methyl]aniline
CID 43383965
N,N-dimethyl-1-(3-methyl-2-pyridinyl)methanamine
CID 20666322
4-[[(3,4-difluorophenyl)methyl-propylamino]methyl]aniline
CID 82917982

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methyl-2-pyridinyl)methyl-propylamino]methyl]aniline?
The IUPAC name of 4-[[(3-methyl-2-pyridinyl)methyl-propylamino]methyl]aniline (CID 115982035) is 4-[[(3-methyl-2-pyridinyl)methyl-propylamino]methyl]aniline.
What is the SMILES notation for 4-[[(3-methyl-2-pyridinyl)methyl-propylamino]methyl]aniline?
The canonical SMILES for 4-[[(3-methyl-2-pyridinyl)methyl-propylamino]methyl]aniline is CCCN(Cc1ccc(N)cc1)Cc1ncccc1C.
What is the InChIKey of 4-[[(3-methyl-2-pyridinyl)methyl-propylamino]methyl]aniline?
The InChIKey is MCQZYJLRHNICAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-11-20(12-15-6-8-16(18)9-7-15)13-17-14(2)5-4-10-19-17/h4-10H,3,11-13,18H2,1-2H3.
What are the key properties of 4-[[(3-methyl-2-pyridinyl)methyl-propylamino]methyl]aniline?
4-[[(3-methyl-2-pyridinyl)methyl-propylamino]methyl]aniline has a molecular weight of 269.39 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methyl-2-pyridinyl)methyl-propylamino]methyl]aniline is sourced from PubChem (CID 115982035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).