N-ethyl-N-(4-methylphenyl)-4-(propylaminomethyl)pyridin-2-amine

C18H25N3 — CID 62294939

IUPACN-ethyl-N-(4-methylphenyl)-4-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1ccnc(N(CC)c2ccc(C)cc2)c1
InChIInChI=1S/C18H25N3/c1-4-11-19-14-16-10-12-20-18(13-16)21(5-2)17-8-6-15(3)7-9-17/h6-10,12-13,19H,4-5,11,14H2,1-3H3
InChIKeyGMJBBFBYXQMZCX-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.05
Rot. Bonds7

About N-ethyl-N-(4-methylphenyl)-4-(propylaminomethyl)pyridin-2-amine

N-ethyl-N-(4-methylphenyl)-4-(propylaminomethyl)pyridin-2-amine (PubChem CID 62294939) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-ethyl-N-(4-methylphenyl)-4-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-N-(4-methylphenyl)-4-(propylaminomethyl)pyridin-2-amine
PubChem CID62294939
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-ethyl-N-(4-methylphenyl)-4-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1ccnc(N(CC)c2ccc(C)cc2)c1
InChIInChI=1S/C18H25N3/c1-4-11-19-14-16-10-12-20-18(13-16)21(5-2)17-8-6-15(3)7-9-17/h6-10,12-13,19H,4-5,11,14H2,1-3H3
InChIKeyGMJBBFBYXQMZCX-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
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-N-propan-2-yl-4-(propylaminomethyl)pyridin-2-amine
CID 62284795
N-ethyl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 55059635
4-N-ethyl-4-N-(4-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80817660
N-benzyl-N-methyl-4-(propylaminomethyl)pyridin-2-amine
CID 62285114
N-ethyl-N-(4-fluorophenyl)-5-(propylaminomethyl)pyridin-2-amine
CID 62283567
N-ethyl-N-(4-methylphenyl)-2-(propylaminomethyl)aniline
CID 63551592
N-(2-methoxyethyl)-N-propan-2-yl-4-(propylaminomethyl)pyridin-2-amine
CID 82952306
N,3-dimethyl-N-(4-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine
CID 80636506
4-(aminomethyl)-N-ethyl-N-(3-methylphenyl)pyridin-2-amine
CID 61076372
N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 62295333
N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propan-1-amine
CID 62285745
N-ethyl-4-(ethylaminomethyl)-2-methyl-N-(4-methylphenyl)aniline
CID 63551214

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-methylphenyl)-4-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of N-ethyl-N-(4-methylphenyl)-4-(propylaminomethyl)pyridin-2-amine (CID 62294939) is N-ethyl-N-(4-methylphenyl)-4-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-N-(4-methylphenyl)-4-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-ethyl-N-(4-methylphenyl)-4-(propylaminomethyl)pyridin-2-amine is CCCNCc1ccnc(N(CC)c2ccc(C)cc2)c1.
What is the InChIKey of N-ethyl-N-(4-methylphenyl)-4-(propylaminomethyl)pyridin-2-amine?
The InChIKey is GMJBBFBYXQMZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-4-11-19-14-16-10-12-20-18(13-16)21(5-2)17-8-6-15(3)7-9-17/h6-10,12-13,19H,4-5,11,14H2,1-3H3.
What are the key properties of N-ethyl-N-(4-methylphenyl)-4-(propylaminomethyl)pyridin-2-amine?
N-ethyl-N-(4-methylphenyl)-4-(propylaminomethyl)pyridin-2-amine has a molecular weight of 283.42 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-methylphenyl)-4-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 62294939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).