5-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]pyridin-2-amine

C16H21N3 — CID 80629685

IUPAC5-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]pyridin-2-amine
SMILESCc1ccccc1CN(C)c1ncc(CN)cc1C
InChIInChI=1S/C16H21N3/c1-12-6-4-5-7-15(12)11-19(3)16-13(2)8-14(9-17)10-18-16/h4-8,10H,9,11,17H2,1-3H3
InChIKeyDIQUYCCJNHTHMB-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.79
Rot. Bonds4

About 5-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]pyridin-2-amine

5-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]pyridin-2-amine (PubChem CID 80629685) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 5-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]pyridin-2-amine
PubChem CID80629685
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name5-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]pyridin-2-amine
SMILESCc1ccccc1CN(C)c1ncc(CN)cc1C
InChIInChI=1S/C16H21N3/c1-12-6-4-5-7-15(12)11-19(3)16-13(2)8-14(9-17)10-18-16/h4-8,10H,9,11,17H2,1-3H3
InChIKeyDIQUYCCJNHTHMB-UHFFFAOYSA-N
XLogP2.79
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]pyridin-2-amine (CID 80629685) is 5-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]pyridin-2-amine is Cc1ccccc1CN(C)c1ncc(CN)cc1C.
What is the InChIKey of 5-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]pyridin-2-amine?
The InChIKey is DIQUYCCJNHTHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-6-4-5-7-15(12)11-19(3)16-13(2)8-14(9-17)10-18-16/h4-8,10H,9,11,17H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]pyridin-2-amine?
5-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]pyridin-2-amine has a molecular weight of 255.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 80629685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).