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

C18H25N3 — CID 80630732

IUPAC5-(2-aminobutyl)-N,3-dimethyl-N-(2-methylphenyl)pyridin-2-amine
SMILESCCC(N)Cc1cnc(N(C)c2ccccc2C)c(C)c1
InChIInChI=1S/C18H25N3/c1-5-16(19)11-15-10-14(3)18(20-12-15)21(4)17-9-7-6-8-13(17)2/h6-10,12,16H,5,11,19H2,1-4H3
InChIKeyTWYMLYIGTVXKGQ-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.75
Rot. Bonds5

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

5-(2-aminobutyl)-N,3-dimethyl-N-(2-methylphenyl)pyridin-2-amine (PubChem CID 80630732) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 5-(2-aminobutyl)-N,3-dimethyl-N-(2-methylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminobutyl)-N,3-dimethyl-N-(2-methylphenyl)pyridin-2-amine
PubChem CID80630732
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name5-(2-aminobutyl)-N,3-dimethyl-N-(2-methylphenyl)pyridin-2-amine
SMILESCCC(N)Cc1cnc(N(C)c2ccccc2C)c(C)c1
InChIInChI=1S/C18H25N3/c1-5-16(19)11-15-10-14(3)18(20-12-15)21(4)17-9-7-6-8-13(17)2/h6-10,12,16H,5,11,19H2,1-4H3
InChIKeyTWYMLYIGTVXKGQ-UHFFFAOYSA-N
XLogP3.75
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-aminopropyl)-N,3-dimethyl-N-(2-methylphenyl)pyridin-2-amine
CID 80634444
4-(2-aminobutyl)-N,2-dimethyl-N-(2-methylphenyl)aniline
CID 63817569
5-(2-aminobutyl)-N-cyclopropyl-N,3-dimethylpyridin-2-amine
CID 80633578
N-[2-(2-aminobutyl)phenyl]-N,2-dimethylaniline
CID 63816863
5-(2-aminobutyl)-N,N-dibutyl-3-methylpyridin-2-amine
CID 80638929
5-(2-aminobutyl)-N-ethyl-N-(furan-2-ylmethyl)-3-methylpyridin-2-amine
CID 80629852
5-(2-aminobutyl)-N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
CID 80630719
5-(2-aminoethyl)-N-ethyl-3-methyl-N-(2-methylphenyl)pyridin-2-amine
CID 80633214
5-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)pyridin-2-amine
CID 80637344
5-(2-aminoethyl)-N-(2-methoxyphenyl)-N,3-dimethylpyridin-2-amine
CID 80634800
5-(aminomethyl)-N,3-dimethyl-N-phenylpyridin-2-amine
CID 79884611
1-[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine
CID 80626845

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminobutyl)-N,3-dimethyl-N-(2-methylphenyl)pyridin-2-amine?
The IUPAC name of 5-(2-aminobutyl)-N,3-dimethyl-N-(2-methylphenyl)pyridin-2-amine (CID 80630732) is 5-(2-aminobutyl)-N,3-dimethyl-N-(2-methylphenyl)pyridin-2-amine.
What is the SMILES notation for 5-(2-aminobutyl)-N,3-dimethyl-N-(2-methylphenyl)pyridin-2-amine?
The canonical SMILES for 5-(2-aminobutyl)-N,3-dimethyl-N-(2-methylphenyl)pyridin-2-amine is CCC(N)Cc1cnc(N(C)c2ccccc2C)c(C)c1.
What is the InChIKey of 5-(2-aminobutyl)-N,3-dimethyl-N-(2-methylphenyl)pyridin-2-amine?
The InChIKey is TWYMLYIGTVXKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-5-16(19)11-15-10-14(3)18(20-12-15)21(4)17-9-7-6-8-13(17)2/h6-10,12,16H,5,11,19H2,1-4H3.
What are the key properties of 5-(2-aminobutyl)-N,3-dimethyl-N-(2-methylphenyl)pyridin-2-amine?
5-(2-aminobutyl)-N,3-dimethyl-N-(2-methylphenyl)pyridin-2-amine has a molecular weight of 283.42 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminobutyl)-N,3-dimethyl-N-(2-methylphenyl)pyridin-2-amine is sourced from PubChem (CID 80630732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).