3-N-[1-(4-ethylphenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine

C18H25N3 — CID 43678466

IUPAC3-N-[1-(4-ethylphenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCCc1ccc(C(CC)Nc2cnccc2N(C)C)cc1
InChIInChI=1S/C18H25N3/c1-5-14-7-9-15(10-8-14)16(6-2)20-17-13-19-12-11-18(17)21(3)4/h7-13,16,20H,5-6H2,1-4H3
InChIKeyROTIGZWZBWCTFK-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.27
Rot. Bonds6

About 3-N-[1-(4-ethylphenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine

3-N-[1-(4-ethylphenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine (PubChem CID 43678466) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-N-[1-(4-ethylphenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine.

Molecular Properties

Compound Name3-N-[1-(4-ethylphenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine
PubChem CID43678466
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name3-N-[1-(4-ethylphenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCCc1ccc(C(CC)Nc2cnccc2N(C)C)cc1
InChIInChI=1S/C18H25N3/c1-5-14-7-9-15(10-8-14)16(6-2)20-17-13-19-12-11-18(17)21(3)4/h7-13,16,20H,5-6H2,1-4H3
InChIKeyROTIGZWZBWCTFK-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[1-(4-chlorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678667
3-N-[1-(4-fluorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678675
2-[1-[[4-(dimethylamino)-3-pyridinyl]amino]propyl]phenol
CID 43678570
3-N-(1-ethylsulfonylpropan-2-yl)-4-N,4-N-dimethylpyridine-3,4-diamine
CID 113494502
N-[1-(4-ethylphenyl)propyl]-2-methylpyridin-3-amine
CID 79041976
methyl 2-[[4-(dimethylamino)-3-pyridinyl]amino]butanoate
CID 115352484
N-[1-(4-ethylphenyl)propyl]-2-methylaniline
CID 43309999
1-(4-ethylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405582
1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 43310046
N-[1-(4-ethylphenyl)ethyl]-4-methylpyridin-3-amine
CID 63329919
1-(4-ethylphenyl)-N-(2-pyridin-3-ylethyl)propan-1-amine
CID 60913064
4-N,4-N-dimethyl-3-N-(4-phenylbutan-2-yl)pyridine-3,4-diamine
CID 43678643

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(4-ethylphenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
The IUPAC name of 3-N-[1-(4-ethylphenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine (CID 43678466) is 3-N-[1-(4-ethylphenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine.
What is the SMILES notation for 3-N-[1-(4-ethylphenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
The canonical SMILES for 3-N-[1-(4-ethylphenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine is CCc1ccc(C(CC)Nc2cnccc2N(C)C)cc1.
What is the InChIKey of 3-N-[1-(4-ethylphenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
The InChIKey is ROTIGZWZBWCTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-5-14-7-9-15(10-8-14)16(6-2)20-17-13-19-12-11-18(17)21(3)4/h7-13,16,20H,5-6H2,1-4H3.
What are the key properties of 3-N-[1-(4-ethylphenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
3-N-[1-(4-ethylphenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine has a molecular weight of 283.42 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(4-ethylphenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine is sourced from PubChem (CID 43678466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).