N-butyl-5-methyl-3-(4-pyridin-4-ylbutyl)pyridin-2-amine

C19H27N3 — CID 155745081

IUPACN-butyl-5-methyl-3-(4-pyridin-4-ylbutyl)pyridin-2-amine
SMILESCCCCNc1ncc(C)cc1CCCCc1ccncc1
InChIInChI=1S/C19H27N3/c1-3-4-11-21-19-18(14-16(2)15-22-19)8-6-5-7-17-9-12-20-13-10-17/h9-10,12-15H,3-8,11H2,1-2H3,(H,21,22)
InChIKeyIIHPYOTUTTXDJL-UHFFFAOYSA-N
MW297.45 g/mol
LogP4.56
Rot. Bonds9

About N-butyl-5-methyl-3-(4-pyridin-4-ylbutyl)pyridin-2-amine

N-butyl-5-methyl-3-(4-pyridin-4-ylbutyl)pyridin-2-amine (PubChem CID 155745081) has the molecular formula C19H27N3 and a molecular weight of 297.45 g/mol. Its IUPAC name is N-butyl-5-methyl-3-(4-pyridin-4-ylbutyl)pyridin-2-amine.

Molecular Properties

Compound NameN-butyl-5-methyl-3-(4-pyridin-4-ylbutyl)pyridin-2-amine
PubChem CID155745081
Molecular FormulaC19H27N3
Molecular Weight297.45 g/mol
Exact Mass297.22
IUPAC NameN-butyl-5-methyl-3-(4-pyridin-4-ylbutyl)pyridin-2-amine
SMILESCCCCNc1ncc(C)cc1CCCCc1ccncc1
InChIInChI=1S/C19H27N3/c1-3-4-11-21-19-18(14-16(2)15-22-19)8-6-5-7-17-9-12-20-13-10-17/h9-10,12-15H,3-8,11H2,1-2H3,(H,21,22)
InChIKeyIIHPYOTUTTXDJL-UHFFFAOYSA-N
XLogP4.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 54.56
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-butyl-5-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine
CID 134568908
3-bromo-N-butyl-5-methylpyridin-2-amine
CID 82477943
4-N-butyl-5-[4-(3,4-diethylphenyl)butyl]pyrimidine-2,4-diamine
CID 134569287
N-(2-pyridin-4-ylethyl)heptan-1-amine
CID 60904179
4-nonadec-10-enylpyridine
CID 71356376
4-N-butyl-5-hexylpyrimidine-2,4-diamine
CID 123602752
4-(4-ethylsulfanylbutyl)pyridine
CID 173323988
4-N-butyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112882829
4-butyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 102880730
N'-(7-butylisoquinolin-1-yl)propane-1,3-diamine
CID 82571189
5,6-dimethyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 60902999
2-N-(2-butoxyethyl)-5-methylpyridine-2,3-diamine
CID 66278004

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-methyl-3-(4-pyridin-4-ylbutyl)pyridin-2-amine?
The IUPAC name of N-butyl-5-methyl-3-(4-pyridin-4-ylbutyl)pyridin-2-amine (CID 155745081) is N-butyl-5-methyl-3-(4-pyridin-4-ylbutyl)pyridin-2-amine.
What is the SMILES notation for N-butyl-5-methyl-3-(4-pyridin-4-ylbutyl)pyridin-2-amine?
The canonical SMILES for N-butyl-5-methyl-3-(4-pyridin-4-ylbutyl)pyridin-2-amine is CCCCNc1ncc(C)cc1CCCCc1ccncc1.
What is the InChIKey of N-butyl-5-methyl-3-(4-pyridin-4-ylbutyl)pyridin-2-amine?
The InChIKey is IIHPYOTUTTXDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3/c1-3-4-11-21-19-18(14-16(2)15-22-19)8-6-5-7-17-9-12-20-13-10-17/h9-10,12-15H,3-8,11H2,1-2H3,(H,21,22).
What are the key properties of N-butyl-5-methyl-3-(4-pyridin-4-ylbutyl)pyridin-2-amine?
N-butyl-5-methyl-3-(4-pyridin-4-ylbutyl)pyridin-2-amine has a molecular weight of 297.45 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-methyl-3-(4-pyridin-4-ylbutyl)pyridin-2-amine is sourced from PubChem (CID 155745081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).