N-methyl-N-[(3-methylphenyl)methyl]-3-(propylaminomethyl)pyridin-4-amine

C18H25N3 — CID 81253106

IUPACN-methyl-N-[(3-methylphenyl)methyl]-3-(propylaminomethyl)pyridin-4-amine
SMILESCCCNCc1cnccc1N(C)Cc1cccc(C)c1
InChIInChI=1S/C18H25N3/c1-4-9-19-12-17-13-20-10-8-18(17)21(3)14-16-7-5-6-15(2)11-16/h5-8,10-11,13,19H,4,9,12,14H2,1-3H3
InChIKeyQAASRDOPLHJPPC-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.53
Rot. Bonds7

About N-methyl-N-[(3-methylphenyl)methyl]-3-(propylaminomethyl)pyridin-4-amine

N-methyl-N-[(3-methylphenyl)methyl]-3-(propylaminomethyl)pyridin-4-amine (PubChem CID 81253106) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-methyl-N-[(3-methylphenyl)methyl]-3-(propylaminomethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(3-methylphenyl)methyl]-3-(propylaminomethyl)pyridin-4-amine
PubChem CID81253106
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-methyl-N-[(3-methylphenyl)methyl]-3-(propylaminomethyl)pyridin-4-amine
SMILESCCCNCc1cnccc1N(C)Cc1cccc(C)c1
InChIInChI=1S/C18H25N3/c1-4-9-19-12-17-13-20-10-8-18(17)21(3)14-16-7-5-6-15(2)11-16/h5-8,10-11,13,19H,4,9,12,14H2,1-3H3
InChIKeyQAASRDOPLHJPPC-UHFFFAOYSA-N
XLogP3.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-(methylaminomethyl)-N-[(3-methylphenyl)methyl]pyridin-4-amine
CID 81246986
N-[(3-fluorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine
CID 105072825
3-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-4-amine
CID 81246098
N-methyl-3-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 81249546
N-[(3-chlorophenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-4-amine
CID 81246803
N-[(4-chlorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine
CID 105073646
N-methyl-3-(propylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-4-amine
CID 81246655
N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)pyridin-4-amine
CID 81247682
N-methyl-N-[(4-methylphenyl)methyl]-2-(propylaminomethyl)aniline
CID 43281348
3-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-4-amine
CID 81246615
3-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 81246247
N-methyl-2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]aniline
CID 61411671

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylphenyl)methyl]-3-(propylaminomethyl)pyridin-4-amine?
The IUPAC name of N-methyl-N-[(3-methylphenyl)methyl]-3-(propylaminomethyl)pyridin-4-amine (CID 81253106) is N-methyl-N-[(3-methylphenyl)methyl]-3-(propylaminomethyl)pyridin-4-amine.
What is the SMILES notation for N-methyl-N-[(3-methylphenyl)methyl]-3-(propylaminomethyl)pyridin-4-amine?
The canonical SMILES for N-methyl-N-[(3-methylphenyl)methyl]-3-(propylaminomethyl)pyridin-4-amine is CCCNCc1cnccc1N(C)Cc1cccc(C)c1.
What is the InChIKey of N-methyl-N-[(3-methylphenyl)methyl]-3-(propylaminomethyl)pyridin-4-amine?
The InChIKey is QAASRDOPLHJPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-4-9-19-12-17-13-20-10-8-18(17)21(3)14-16-7-5-6-15(2)11-16/h5-8,10-11,13,19H,4,9,12,14H2,1-3H3.
What are the key properties of N-methyl-N-[(3-methylphenyl)methyl]-3-(propylaminomethyl)pyridin-4-amine?
N-methyl-N-[(3-methylphenyl)methyl]-3-(propylaminomethyl)pyridin-4-amine has a molecular weight of 283.42 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylphenyl)methyl]-3-(propylaminomethyl)pyridin-4-amine is sourced from PubChem (CID 81253106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).