3-(aminomethyl)-N-benzyl-N-ethyl-4,6-dimethylpyridin-2-amine

C17H23N3 — CID 61175356

IUPAC3-(aminomethyl)-N-benzyl-N-ethyl-4,6-dimethylpyridin-2-amine
SMILESCCN(Cc1ccccc1)c1nc(C)cc(C)c1CN
InChIInChI=1S/C17H23N3/c1-4-20(12-15-8-6-5-7-9-15)17-16(11-18)13(2)10-14(3)19-17/h5-10H,4,11-12,18H2,1-3H3
InChIKeyZWVSSDKXEDEYBM-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.18
Rot. Bonds5

About 3-(aminomethyl)-N-benzyl-N-ethyl-4,6-dimethylpyridin-2-amine

3-(aminomethyl)-N-benzyl-N-ethyl-4,6-dimethylpyridin-2-amine (PubChem CID 61175356) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-(aminomethyl)-N-benzyl-N-ethyl-4,6-dimethylpyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-benzyl-N-ethyl-4,6-dimethylpyridin-2-amine
PubChem CID61175356
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name3-(aminomethyl)-N-benzyl-N-ethyl-4,6-dimethylpyridin-2-amine
SMILESCCN(Cc1ccccc1)c1nc(C)cc(C)c1CN
InChIInChI=1S/C17H23N3/c1-4-20(12-15-8-6-5-7-9-15)17-16(11-18)13(2)10-14(3)19-17/h5-10H,4,11-12,18H2,1-3H3
InChIKeyZWVSSDKXEDEYBM-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N,4,6-trimethyl-N-(2-phenylethyl)pyridin-2-amine
CID 65484864
3-(aminomethyl)-N,N-dibutyl-4,6-dimethylpyridin-2-amine
CID 61175355
3-(aminomethyl)-4,6-dimethyl-N,N-bis(2-methylpropyl)pyridin-2-amine
CID 61176128
2-N-benzyl-2-N-ethyl-3-methylpyridine-2,5-diamine
CID 55080686
N-benzyl-3-(chloromethyl)-N,4,6-trimethylpyridin-2-amine
CID 61255946
3-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N,4,6-trimethylpyridin-2-amine
CID 61419922
3-(aminomethyl)-N-benzyl-N-ethylpyrazin-2-amine
CID 62672158
N-benzyl-N-ethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430366
3-(aminomethyl)-N-(furan-2-ylmethyl)-N,4,6-trimethylpyridin-2-amine
CID 61176681
4-N-benzyl-4-N-ethyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80754573
3-(aminomethyl)-N-cyclohexyl-N-ethyl-4,6-dimethylpyridin-2-amine
CID 61176873
4-N-benzyl-4-N-ethyl-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112918908

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-benzyl-N-ethyl-4,6-dimethylpyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-N-benzyl-N-ethyl-4,6-dimethylpyridin-2-amine (CID 61175356) is 3-(aminomethyl)-N-benzyl-N-ethyl-4,6-dimethylpyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-benzyl-N-ethyl-4,6-dimethylpyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-benzyl-N-ethyl-4,6-dimethylpyridin-2-amine is CCN(Cc1ccccc1)c1nc(C)cc(C)c1CN.
What is the InChIKey of 3-(aminomethyl)-N-benzyl-N-ethyl-4,6-dimethylpyridin-2-amine?
The InChIKey is ZWVSSDKXEDEYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-4-20(12-15-8-6-5-7-9-15)17-16(11-18)13(2)10-14(3)19-17/h5-10H,4,11-12,18H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-benzyl-N-ethyl-4,6-dimethylpyridin-2-amine?
3-(aminomethyl)-N-benzyl-N-ethyl-4,6-dimethylpyridin-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-benzyl-N-ethyl-4,6-dimethylpyridin-2-amine is sourced from PubChem (CID 61175356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).