3-[[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]methyl]aniline

C17H23N3 — CID 115982039

IUPAC3-[[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]methyl]aniline
SMILESCc1cccnc1CN(Cc1cccc(N)c1)C(C)C
InChIInChI=1S/C17H23N3/c1-13(2)20(11-15-7-4-8-16(18)10-15)12-17-14(3)6-5-9-19-17/h4-10,13H,11-12,18H2,1-3H3
InChIKeyRMNAYTWQNJJAIX-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.38
Rot. Bonds5

About 3-[[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]methyl]aniline

3-[[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]methyl]aniline (PubChem CID 115982039) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-[[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]methyl]aniline.

Molecular Properties

Compound Name3-[[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]methyl]aniline
PubChem CID115982039
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name3-[[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]methyl]aniline
SMILESCc1cccnc1CN(Cc1cccc(N)c1)C(C)C
InChIInChI=1S/C17H23N3/c1-13(2)20(11-15-7-4-8-16(18)10-15)12-17-14(3)6-5-9-19-17/h4-10,13H,11-12,18H2,1-3H3
InChIKeyRMNAYTWQNJJAIX-UHFFFAOYSA-N
XLogP3.38
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[[propan-2-yl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 43460245
N'-[(3-methyl-2-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 112649923
2-[[benzyl(propan-2-yl)amino]methyl]pyridin-3-amine
CID 104739694
3-[[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]methyl]aniline
CID 102881505
3-[[(4-bromophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 43460270
3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43384051
N'-[(3-aminophenyl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 43460249
3-[[(3-aminophenyl)methyl-propan-2-ylamino]methyl]benzonitrile
CID 43460263
ethyl 2-[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 112550243
3-[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]propanethioamide
CID 112650348
N-[(3-aminophenyl)methyl]-N-cyclopropyl-3-methylpyridin-2-amine
CID 62254254
3-[[(2-chloro-4-methylphenyl)methyl-propan-2-ylamino]methyl]aniline
CID 106864207

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]methyl]aniline?
The IUPAC name of 3-[[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]methyl]aniline (CID 115982039) is 3-[[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]methyl]aniline.
What is the SMILES notation for 3-[[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]methyl]aniline?
The canonical SMILES for 3-[[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]methyl]aniline is Cc1cccnc1CN(Cc1cccc(N)c1)C(C)C.
What is the InChIKey of 3-[[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]methyl]aniline?
The InChIKey is RMNAYTWQNJJAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13(2)20(11-15-7-4-8-16(18)10-15)12-17-14(3)6-5-9-19-17/h4-10,13H,11-12,18H2,1-3H3.
What are the key properties of 3-[[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]methyl]aniline?
3-[[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]methyl]aniline has a molecular weight of 269.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]methyl]aniline is sourced from PubChem (CID 115982039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).