3-N-ethyl-3-N-[(5-methyl-3-pyridinyl)methyl]benzene-1,3-diamine

C15H19N3 — CID 102881529

IUPAC3-N-ethyl-3-N-[(5-methyl-3-pyridinyl)methyl]benzene-1,3-diamine
SMILESCCN(Cc1cncc(C)c1)c1cccc(N)c1
InChIInChI=1S/C15H19N3/c1-3-18(15-6-4-5-14(16)8-15)11-13-7-12(2)9-17-10-13/h4-10H,3,11,16H2,1-2H3
InChIKeyPDONZALUVQFVGF-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.00
Rot. Bonds4

About 3-N-ethyl-3-N-[(5-methyl-3-pyridinyl)methyl]benzene-1,3-diamine

3-N-ethyl-3-N-[(5-methyl-3-pyridinyl)methyl]benzene-1,3-diamine (PubChem CID 102881529) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 3-N-ethyl-3-N-[(5-methyl-3-pyridinyl)methyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-N-[(5-methyl-3-pyridinyl)methyl]benzene-1,3-diamine
PubChem CID102881529
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name3-N-ethyl-3-N-[(5-methyl-3-pyridinyl)methyl]benzene-1,3-diamine
SMILESCCN(Cc1cncc(C)c1)c1cccc(N)c1
InChIInChI=1S/C15H19N3/c1-3-18(15-6-4-5-14(16)8-15)11-13-7-12(2)9-17-10-13/h4-10H,3,11,16H2,1-2H3
InChIKeyPDONZALUVQFVGF-UHFFFAOYSA-N
XLogP3.00
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.00
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-N-[(5-bromo-3-pyridinyl)methyl]-3-N-ethylbenzene-1,3-diamine
CID 113454392
3-N-ethyl-3-N-[(4-methoxyphenyl)methyl]benzene-1,3-diamine
CID 39358271
3-[[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]methyl]aniline
CID 102881505
3-N-[(3-methylphenyl)methyl]-3-N-propylbenzene-1,3-diamine
CID 63230562
3-N-[(3-bromo-5-fluorophenyl)methyl]-3-N-ethylbenzene-1,3-diamine
CID 79705882
3-N-[(3-chloro-4-fluorophenyl)methyl]-3-N-ethylbenzene-1,3-diamine
CID 103038313
3-N-ethyl-3-N-(quinolin-6-ylmethyl)benzene-1,3-diamine
CID 63229505
N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
CID 23342282
3-N-ethyl-3-N-propylbenzene-1,3-diamine
CID 43268426
3-N-ethyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine
CID 39348291
3-[(5-methyl-3-pyridinyl)methylsulfanyl]aniline
CID 102881464
3-[(N-ethyl-3-methylanilino)methyl]-4-methylaniline
CID 82131996

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-[(5-methyl-3-pyridinyl)methyl]benzene-1,3-diamine?
The IUPAC name of 3-N-ethyl-3-N-[(5-methyl-3-pyridinyl)methyl]benzene-1,3-diamine (CID 102881529) is 3-N-ethyl-3-N-[(5-methyl-3-pyridinyl)methyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-3-N-[(5-methyl-3-pyridinyl)methyl]benzene-1,3-diamine?
The canonical SMILES for 3-N-ethyl-3-N-[(5-methyl-3-pyridinyl)methyl]benzene-1,3-diamine is CCN(Cc1cncc(C)c1)c1cccc(N)c1.
What is the InChIKey of 3-N-ethyl-3-N-[(5-methyl-3-pyridinyl)methyl]benzene-1,3-diamine?
The InChIKey is PDONZALUVQFVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-18(15-6-4-5-14(16)8-15)11-13-7-12(2)9-17-10-13/h4-10H,3,11,16H2,1-2H3.
What are the key properties of 3-N-ethyl-3-N-[(5-methyl-3-pyridinyl)methyl]benzene-1,3-diamine?
3-N-ethyl-3-N-[(5-methyl-3-pyridinyl)methyl]benzene-1,3-diamine has a molecular weight of 241.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-[(5-methyl-3-pyridinyl)methyl]benzene-1,3-diamine is sourced from PubChem (CID 102881529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).