N'-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]ethanimidamide

C16H20N4 — CID 25231665

IUPACN'-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]ethanimidamide
SMILESC/C(N)=N\Cc1cccc(CNCc2ccccn2)c1
InChIInChI=1S/C16H20N4/c1-13(17)20-11-15-6-4-5-14(9-15)10-18-12-16-7-2-3-8-19-16/h2-9,18H,10-12H2,1H3,(H2,17,20)
InChIKeyGIJSTAOKLYBLNV-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.25
Rot. Bonds6

About N'-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]ethanimidamide

N'-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]ethanimidamide (PubChem CID 25231665) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N'-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]ethanimidamide.

Molecular Properties

Compound NameN'-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]ethanimidamide
PubChem CID25231665
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN'-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]ethanimidamide
SMILESC/C(N)=N\Cc1cccc(CNCc2ccccn2)c1
InChIInChI=1S/C16H20N4/c1-13(17)20-11-15-6-4-5-14(9-15)10-18-12-16-7-2-3-8-19-16/h2-9,18H,10-12H2,1H3,(H2,17,20)
InChIKeyGIJSTAOKLYBLNV-UHFFFAOYSA-N
XLogP2.25
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.25
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

1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 4719779
azane;methane;[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methanamine
CID 158212763
N-(pyridin-2-ylmethyl)-1-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]methanamine
CID 564837
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
1-[4-(methoxymethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 60751892
N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 90740224
2-methoxy-N-[3-[(pyridin-2-ylmethylamino)methyl]phenyl]acetamide
CID 47025423
1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 44782427
1-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 110967928
1-benzyl-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine;hydroiodide
CID 75415092
2-[(3-hydroxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 75532909
ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine
CID 144892285

Frequently Asked Questions

What is the IUPAC name of N'-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]ethanimidamide?
The IUPAC name of N'-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]ethanimidamide (CID 25231665) is N'-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]ethanimidamide.
What is the SMILES notation for N'-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]ethanimidamide?
The canonical SMILES for N'-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]ethanimidamide is C/C(N)=N\Cc1cccc(CNCc2ccccn2)c1.
What is the InChIKey of N'-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]ethanimidamide?
The InChIKey is GIJSTAOKLYBLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-13(17)20-11-15-6-4-5-14(9-15)10-18-12-16-7-2-3-8-19-16/h2-9,18H,10-12H2,1H3,(H2,17,20).
What are the key properties of N'-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]ethanimidamide?
N'-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]ethanimidamide has a molecular weight of 268.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]ethanimidamide is sourced from PubChem (CID 25231665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).