3-[(N-butylanilino)methyl]pyridine-2-carboximidamide

C17H22N4 — CID 64585399

IUPAC3-[(N-butylanilino)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CN(CCCC)c1ccccc1
InChIInChI=1S/C17H22N4/c1-2-3-12-21(15-9-5-4-6-10-15)13-14-8-7-11-20-16(14)17(18)19/h4-11H,2-3,12-13H2,1H3,(H3,18,19)
InChIKeyQMLRJFMHEYLDQX-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.17
Rot. Bonds7

About 3-[(N-butylanilino)methyl]pyridine-2-carboximidamide

3-[(N-butylanilino)methyl]pyridine-2-carboximidamide (PubChem CID 64585399) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[(N-butylanilino)methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-[(N-butylanilino)methyl]pyridine-2-carboximidamide
PubChem CID64585399
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name3-[(N-butylanilino)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CN(CCCC)c1ccccc1
InChIInChI=1S/C17H22N4/c1-2-3-12-21(15-9-5-4-6-10-15)13-14-8-7-11-20-16(14)17(18)19/h4-11H,2-3,12-13H2,1H3,(H3,18,19)
InChIKeyQMLRJFMHEYLDQX-UHFFFAOYSA-N
XLogP3.17
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[(N-methylanilino)methyl]pyridine-2-carboximidamide
CID 55128400
3-[(N-ethyl-2-methylanilino)methyl]pyridine-2-carboximidamide
CID 62895735
3-(diethylaminomethyl)pyridine-2-carboximidamide
CID 62895902
3-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboximidamide
CID 63694039
3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carboximidamide
CID 62894381
3-[(N-butylanilino)methyl]benzenecarboximidamide
CID 64585202
3-[[3-hydroxypropyl(propan-2-yl)amino]methyl]pyridine-2-carboximidamide
CID 62894556
3-(hexoxymethyl)pyridine-2-carboximidamide
CID 62895257
3-[[2-hydroxypropyl(methyl)amino]methyl]pyridine-2-carboximidamide
CID 62895415
N-[[2-(2-aminoethyl)phenyl]methyl]-N-butylaniline
CID 64586180
3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]pyridine-2-carboximidamide
CID 81056406
5-(N-butylanilino)-2,2-dimethylpentanimidamide
CID 65258340

Frequently Asked Questions

What is the IUPAC name of 3-[(N-butylanilino)methyl]pyridine-2-carboximidamide?
The IUPAC name of 3-[(N-butylanilino)methyl]pyridine-2-carboximidamide (CID 64585399) is 3-[(N-butylanilino)methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 3-[(N-butylanilino)methyl]pyridine-2-carboximidamide?
The canonical SMILES for 3-[(N-butylanilino)methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1CN(CCCC)c1ccccc1.
What is the InChIKey of 3-[(N-butylanilino)methyl]pyridine-2-carboximidamide?
The InChIKey is QMLRJFMHEYLDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-3-12-21(15-9-5-4-6-10-15)13-14-8-7-11-20-16(14)17(18)19/h4-11H,2-3,12-13H2,1H3,(H3,18,19).
What are the key properties of 3-[(N-butylanilino)methyl]pyridine-2-carboximidamide?
3-[(N-butylanilino)methyl]pyridine-2-carboximidamide has a molecular weight of 282.39 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(N-butylanilino)methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 64585399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).