4-(aminomethyl)-N-[(5-methyl-3-pyridinyl)methyl]-N-propan-2-ylaniline

C17H23N3 — CID 102880574

IUPAC4-(aminomethyl)-N-[(5-methyl-3-pyridinyl)methyl]-N-propan-2-ylaniline
SMILESCc1cncc(CN(c2ccc(CN)cc2)C(C)C)c1
InChIInChI=1S/C17H23N3/c1-13(2)20(12-16-8-14(3)10-19-11-16)17-6-4-15(9-18)5-7-17/h4-8,10-11,13H,9,12,18H2,1-3H3
InChIKeyXHYABOSCZZEQQS-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.26
Rot. Bonds5

About 4-(aminomethyl)-N-[(5-methyl-3-pyridinyl)methyl]-N-propan-2-ylaniline

4-(aminomethyl)-N-[(5-methyl-3-pyridinyl)methyl]-N-propan-2-ylaniline (PubChem CID 102880574) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(5-methyl-3-pyridinyl)methyl]-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(5-methyl-3-pyridinyl)methyl]-N-propan-2-ylaniline
PubChem CID102880574
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-(aminomethyl)-N-[(5-methyl-3-pyridinyl)methyl]-N-propan-2-ylaniline
SMILESCc1cncc(CN(c2ccc(CN)cc2)C(C)C)c1
InChIInChI=1S/C17H23N3/c1-13(2)20(12-16-8-14(3)10-19-11-16)17-6-4-15(9-18)5-7-17/h4-8,10-11,13H,9,12,18H2,1-3H3
InChIKeyXHYABOSCZZEQQS-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-propan-2-ylaniline
CID 82915692
4-[[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]methyl]aniline
CID 102881504
4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-propan-2-ylaniline
CID 43276120
3-[[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]methyl]aniline
CID 102881505
2-N,2-dimethyl-2-N-[(5-methyl-3-pyridinyl)methyl]propane-1,2-diamine
CID 102879133
N-[4-(aminomethyl)phenyl]-5-methylpyridin-3-amine
CID 145472983
3-[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]propanimidamide
CID 102881400
3-N-ethyl-3-N-[(5-methyl-3-pyridinyl)methyl]benzene-1,3-diamine
CID 102881529
2-[2-hydroxyethyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanol
CID 102794628
3-chloro-N-[(5-methyl-3-pyridinyl)methyl]-N-propan-2-ylpropan-1-amine
CID 102878809
N-[(3-aminophenyl)methyl]-N-propan-2-ylpyridin-4-amine
CID 60876264
4-(aminomethyl)-N-butan-2-yl-N-ethylaniline
CID 43274064

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(5-methyl-3-pyridinyl)methyl]-N-propan-2-ylaniline?
The IUPAC name of 4-(aminomethyl)-N-[(5-methyl-3-pyridinyl)methyl]-N-propan-2-ylaniline (CID 102880574) is 4-(aminomethyl)-N-[(5-methyl-3-pyridinyl)methyl]-N-propan-2-ylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-[(5-methyl-3-pyridinyl)methyl]-N-propan-2-ylaniline?
The canonical SMILES for 4-(aminomethyl)-N-[(5-methyl-3-pyridinyl)methyl]-N-propan-2-ylaniline is Cc1cncc(CN(c2ccc(CN)cc2)C(C)C)c1.
What is the InChIKey of 4-(aminomethyl)-N-[(5-methyl-3-pyridinyl)methyl]-N-propan-2-ylaniline?
The InChIKey is XHYABOSCZZEQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13(2)20(12-16-8-14(3)10-19-11-16)17-6-4-15(9-18)5-7-17/h4-8,10-11,13H,9,12,18H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-[(5-methyl-3-pyridinyl)methyl]-N-propan-2-ylaniline?
4-(aminomethyl)-N-[(5-methyl-3-pyridinyl)methyl]-N-propan-2-ylaniline has a molecular weight of 269.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(5-methyl-3-pyridinyl)methyl]-N-propan-2-ylaniline is sourced from PubChem (CID 102880574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).