4-butyl-N-[(5-methyl-3-pyridinyl)methyl]aniline

C17H22N2 — CID 102880730

IUPAC4-butyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
SMILESCCCCc1ccc(NCc2cncc(C)c2)cc1
InChIInChI=1S/C17H22N2/c1-3-4-5-15-6-8-17(9-7-15)19-13-16-10-14(2)11-18-12-16/h6-12,19H,3-5,13H2,1-2H3
InChIKeyZKRNKOXDZOKXAO-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.34
Rot. Bonds6

About 4-butyl-N-[(5-methyl-3-pyridinyl)methyl]aniline

4-butyl-N-[(5-methyl-3-pyridinyl)methyl]aniline (PubChem CID 102880730) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-butyl-N-[(5-methyl-3-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name4-butyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
PubChem CID102880730
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name4-butyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
SMILESCCCCc1ccc(NCc2cncc(C)c2)cc1
InChIInChI=1S/C17H22N2/c1-3-4-5-15-6-8-17(9-7-15)19-13-16-10-14(2)11-18-12-16/h6-12,19H,3-5,13H2,1-2H3
InChIKeyZKRNKOXDZOKXAO-UHFFFAOYSA-N
XLogP4.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-methyl-3-pyridinyl)methyl]-4-propylaniline
CID 102880731
4-butyl-N-[(3,5-dimethylphenyl)methyl]aniline
CID 60685123
4-butyl-N-(pyridin-3-ylmethyl)aniline
CID 28675603
4-[(4-butylanilino)methyl]-2,6-dimethylphenol
CID 28932398
4-butyl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104749224
4-N-[(4-butylphenyl)methyl]benzene-1,4-diamine
CID 59230081
4-methyl-N-[(5-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)aniline
CID 102880807
4-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline
CID 28781531
2-[(4-butylanilino)methyl]-4-methylphenol
CID 63326661
4-butyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134569
4-chloro-3-methoxy-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 107621623
ethane;3-[4-(4-fluorophenyl)butyl]-5-methylpyridine
CID 145472925

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[(5-methyl-3-pyridinyl)methyl]aniline?
The IUPAC name of 4-butyl-N-[(5-methyl-3-pyridinyl)methyl]aniline (CID 102880730) is 4-butyl-N-[(5-methyl-3-pyridinyl)methyl]aniline.
What is the SMILES notation for 4-butyl-N-[(5-methyl-3-pyridinyl)methyl]aniline?
The canonical SMILES for 4-butyl-N-[(5-methyl-3-pyridinyl)methyl]aniline is CCCCc1ccc(NCc2cncc(C)c2)cc1.
What is the InChIKey of 4-butyl-N-[(5-methyl-3-pyridinyl)methyl]aniline?
The InChIKey is ZKRNKOXDZOKXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-3-4-5-15-6-8-17(9-7-15)19-13-16-10-14(2)11-18-12-16/h6-12,19H,3-5,13H2,1-2H3.
What are the key properties of 4-butyl-N-[(5-methyl-3-pyridinyl)methyl]aniline?
4-butyl-N-[(5-methyl-3-pyridinyl)methyl]aniline has a molecular weight of 254.38 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[(5-methyl-3-pyridinyl)methyl]aniline is sourced from PubChem (CID 102880730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).