4-butyl-N-[(6-methyl-3-pyridinyl)methyl]aniline

C17H22N2 — CID 104749224

IUPAC4-butyl-N-[(6-methyl-3-pyridinyl)methyl]aniline
SMILESCCCCc1ccc(NCc2ccc(C)nc2)cc1
InChIInChI=1S/C17H22N2/c1-3-4-5-15-8-10-17(11-9-15)19-13-16-7-6-14(2)18-12-16/h6-12,19H,3-5,13H2,1-2H3
InChIKeyOVFMLIBIBKSFTK-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.34
Rot. Bonds6

About 4-butyl-N-[(6-methyl-3-pyridinyl)methyl]aniline

4-butyl-N-[(6-methyl-3-pyridinyl)methyl]aniline (PubChem CID 104749224) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-butyl-N-[(6-methyl-3-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name4-butyl-N-[(6-methyl-3-pyridinyl)methyl]aniline
PubChem CID104749224
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name4-butyl-N-[(6-methyl-3-pyridinyl)methyl]aniline
SMILESCCCCc1ccc(NCc2ccc(C)nc2)cc1
InChIInChI=1S/C17H22N2/c1-3-4-5-15-8-10-17(11-9-15)19-13-16-7-6-14(2)18-12-16/h6-12,19H,3-5,13H2,1-2H3
InChIKeyOVFMLIBIBKSFTK-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

4-butyl-N-(pyridin-3-ylmethyl)aniline
CID 28675603
N-[(6-methyl-3-pyridinyl)methyl]-4-phenylaniline
CID 104821896
4-butyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 102880730
4-butyl-N-[(3,5-dimethylphenyl)methyl]aniline
CID 60685123
N-[4-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide
CID 104749173
4-N-[(4-butylphenyl)methyl]benzene-1,4-diamine
CID 59230081
propyl 4-[(6-methyl-3-pyridinyl)methylamino]benzoate
CID 104821830
4-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2,4-triamine
CID 106750778
4-[(4-butylanilino)methyl]-2,6-dimethylphenol
CID 28932398
N-[(6-methyl-3-pyridinyl)methyl]heptan-1-amine
CID 62996508
N-[(6-methyl-3-pyridinyl)methyl]quinoxalin-6-amine
CID 104821970
5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-carbonitrile
CID 79839878

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[(6-methyl-3-pyridinyl)methyl]aniline?
The IUPAC name of 4-butyl-N-[(6-methyl-3-pyridinyl)methyl]aniline (CID 104749224) is 4-butyl-N-[(6-methyl-3-pyridinyl)methyl]aniline.
What is the SMILES notation for 4-butyl-N-[(6-methyl-3-pyridinyl)methyl]aniline?
The canonical SMILES for 4-butyl-N-[(6-methyl-3-pyridinyl)methyl]aniline is CCCCc1ccc(NCc2ccc(C)nc2)cc1.
What is the InChIKey of 4-butyl-N-[(6-methyl-3-pyridinyl)methyl]aniline?
The InChIKey is OVFMLIBIBKSFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-3-4-5-15-8-10-17(11-9-15)19-13-16-7-6-14(2)18-12-16/h6-12,19H,3-5,13H2,1-2H3.
What are the key properties of 4-butyl-N-[(6-methyl-3-pyridinyl)methyl]aniline?
4-butyl-N-[(6-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-[(6-methyl-3-pyridinyl)methyl]aniline is sourced from PubChem (CID 104749224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).