4-[(N-butylanilino)methyl]pyridin-2-amine

C16H21N3 — CID 64585240

IUPAC4-[(N-butylanilino)methyl]pyridin-2-amine
SMILESCCCCN(Cc1ccnc(N)c1)c1ccccc1
InChIInChI=1S/C16H21N3/c1-2-3-11-19(15-7-5-4-6-8-15)13-14-9-10-18-16(17)12-14/h4-10,12H,2-3,11,13H2,1H3,(H2,17,18)
InChIKeyNRMGLKXWQBXWBE-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.47
Rot. Bonds6

About 4-[(N-butylanilino)methyl]pyridin-2-amine

4-[(N-butylanilino)methyl]pyridin-2-amine (PubChem CID 64585240) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 4-[(N-butylanilino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[(N-butylanilino)methyl]pyridin-2-amine
PubChem CID64585240
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name4-[(N-butylanilino)methyl]pyridin-2-amine
SMILESCCCCN(Cc1ccnc(N)c1)c1ccccc1
InChIInChI=1S/C16H21N3/c1-2-3-11-19(15-7-5-4-6-8-15)13-14-9-10-18-16(17)12-14/h4-10,12H,2-3,11,13H2,1H3,(H2,17,18)
InChIKeyNRMGLKXWQBXWBE-UHFFFAOYSA-N
XLogP3.47
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(N-butylanilino)methyl]pyridine-2-carbothioamide
CID 64592322
N-[[3-(aminomethyl)phenyl]methyl]-N-butylaniline
CID 64584405
N-[[4-(aminomethyl)phenyl]methyl]-N-butylaniline
CID 64584404
4-[[benzyl(methyl)amino]methyl]pyridin-2-amine
CID 62472016
4-[(N-butylanilino)methyl]-2,6-dimethylphenol
CID 82965621
4-[[methyl(2-methylbutan-2-yl)amino]methyl]pyridin-2-amine
CID 63964708
4-[(dimethylamino)methyl]pyridin-2-amine
CID 45088278
N-ethyl-N-[(2-hydrazinyl-4-pyridinyl)methyl]aniline
CID 62470305
3-[(N-butylanilino)methyl]benzenecarboximidamide
CID 64585202
N'-benzyl-N'-(2-methyl-4-pyridinyl)propane-1,3-diamine
CID 107368407
N-benzyl-N-propylaniline
CID 14671265
N'-[(3,5-dimethylphenyl)methyl]-N'-phenylpropane-1,3-diamine
CID 61029753

Frequently Asked Questions

What is the IUPAC name of 4-[(N-butylanilino)methyl]pyridin-2-amine?
The IUPAC name of 4-[(N-butylanilino)methyl]pyridin-2-amine (CID 64585240) is 4-[(N-butylanilino)methyl]pyridin-2-amine.
What is the SMILES notation for 4-[(N-butylanilino)methyl]pyridin-2-amine?
The canonical SMILES for 4-[(N-butylanilino)methyl]pyridin-2-amine is CCCCN(Cc1ccnc(N)c1)c1ccccc1.
What is the InChIKey of 4-[(N-butylanilino)methyl]pyridin-2-amine?
The InChIKey is NRMGLKXWQBXWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-3-11-19(15-7-5-4-6-8-15)13-14-9-10-18-16(17)12-14/h4-10,12H,2-3,11,13H2,1H3,(H2,17,18).
What are the key properties of 4-[(N-butylanilino)methyl]pyridin-2-amine?
4-[(N-butylanilino)methyl]pyridin-2-amine has a molecular weight of 255.37 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N-butylanilino)methyl]pyridin-2-amine is sourced from PubChem (CID 64585240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).