N,3-dimethyl-N-(4-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine

C18H25N3 — CID 80636506

IUPACN,3-dimethyl-N-(4-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cnc(N(C)c2ccc(C)cc2)c(C)c1
InChIInChI=1S/C18H25N3/c1-5-10-19-12-16-11-15(3)18(20-13-16)21(4)17-8-6-14(2)7-9-17/h6-9,11,13,19H,5,10,12H2,1-4H3
InChIKeyBJLNAUAUYPXTQO-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.97
Rot. Bonds6

About N,3-dimethyl-N-(4-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine

N,3-dimethyl-N-(4-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine (PubChem CID 80636506) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N,3-dimethyl-N-(4-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-(4-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine
PubChem CID80636506
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN,3-dimethyl-N-(4-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cnc(N(C)c2ccc(C)cc2)c(C)c1
InChIInChI=1S/C18H25N3/c1-5-10-19-12-16-11-15(3)18(20-13-16)21(4)17-8-6-14(2)7-9-17/h6-9,11,13,19H,5,10,12H2,1-4H3
InChIKeyBJLNAUAUYPXTQO-UHFFFAOYSA-N
XLogP3.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.97
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

5-(ethylaminomethyl)-N-(4-fluorophenyl)-N,3-dimethylpyridin-2-amine
CID 80635720
5-(ethylaminomethyl)-N-(4-methoxyphenyl)-N,3-dimethylpyridin-2-amine
CID 80638739
N,N,N'-trimethyl-N'-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]ethane-1,2-diamine
CID 80635878
N-ethyl-3-methyl-N-propyl-5-(propylaminomethyl)pyridin-2-amine
CID 80629655
2-methyl-1-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propan-2-ol
CID 80635329
6-(N,4-dimethylanilino)-5-methylpyridine-3-carbaldehyde
CID 80638223
2-[[3-methyl-5-(propylaminomethyl)-2-pyridinyl]-propylamino]ethanol
CID 80629864
N,2-dimethyl-N-(4-methylphenyl)-5-(propylaminomethyl)pyridin-4-amine
CID 81248842
N-ethyl-2-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80629706
N-butan-2-yl-N-butyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 80636831
N-butyl-N-cyclopropyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 80629872
N,2-dimethyl-3-[methyl-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]amino]propanamide
CID 106916830

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(4-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of N,3-dimethyl-N-(4-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine (CID 80636506) is N,3-dimethyl-N-(4-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N,3-dimethyl-N-(4-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for N,3-dimethyl-N-(4-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine is CCCNCc1cnc(N(C)c2ccc(C)cc2)c(C)c1.
What is the InChIKey of N,3-dimethyl-N-(4-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine?
The InChIKey is BJLNAUAUYPXTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-5-10-19-12-16-11-15(3)18(20-13-16)21(4)17-8-6-14(2)7-9-17/h6-9,11,13,19H,5,10,12H2,1-4H3.
What are the key properties of N,3-dimethyl-N-(4-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine?
N,3-dimethyl-N-(4-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine has a molecular weight of 283.42 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(4-methylphenyl)-5-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 80636506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).