N'-[2-[(1-methyl-2H-pyridin-4-yl)amino]ethyl]ethanimidamide

C10H18N4 — CID 142175218

IUPACN'-[2-[(1-methyl-2H-pyridin-4-yl)amino]ethyl]ethanimidamide
SMILESC/C(N)=N\CCNC1=CCN(C)C=C1
InChIInChI=1S/C10H18N4/c1-9(11)12-5-6-13-10-3-7-14(2)8-4-10/h3-4,7,13H,5-6,8H2,1-2H3,(H2,11,12)
InChIKeyYVQVCEJDHOCGRC-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.30
Rot. Bonds4

About N'-[2-[(1-methyl-2H-pyridin-4-yl)amino]ethyl]ethanimidamide

N'-[2-[(1-methyl-2H-pyridin-4-yl)amino]ethyl]ethanimidamide (PubChem CID 142175218) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N'-[2-[(1-methyl-2H-pyridin-4-yl)amino]ethyl]ethanimidamide.

Molecular Properties

Compound NameN'-[2-[(1-methyl-2H-pyridin-4-yl)amino]ethyl]ethanimidamide
PubChem CID142175218
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN'-[2-[(1-methyl-2H-pyridin-4-yl)amino]ethyl]ethanimidamide
SMILESC/C(N)=N\CCNC1=CCN(C)C=C1
InChIInChI=1S/C10H18N4/c1-9(11)12-5-6-13-10-3-7-14(2)8-4-10/h3-4,7,13H,5-6,8H2,1-2H3,(H2,11,12)
InChIKeyYVQVCEJDHOCGRC-UHFFFAOYSA-N
XLogP0.30
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-[(4E)-2-methyl-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine
CID 88586966
(Z)-3-amino-2-(2-aminoethylamino)-N'-ethenylbut-2-enimidamide
CID 89682228
(Z)-3-amino-N'-[2-(dimethylamino)ethyl]-N-ethenylbut-2-enimidamide
CID 89881702
5-Piperazin-1-yl-1-prop-1-en-2-ylpyridin-2-imine
CID 123260475
2-[[(2E)-1,2-diamino-2-(1H-pyridin-2-ylidene)ethylidene]amino]ethyl-trimethylazanium
CID 137215411
(2E)-2-amino-N'-[2-(4-propylpiperazin-1-yl)ethyl]-2-(1H-pyridin-2-ylidene)ethanimidamide
CID 137215412
(Z)-3-[methyl-[(2E)-4-(methylamino)penta-2,4-dien-2-yl]amino]prop-2-enimidamide
CID 137387818
N'-buta-1,3-dien-2-yl-N-[(2E)-4-[3-(dimethylamino)prop-1-en-2-ylamino]penta-2,4-dien-2-yl]ethanimidamide
CID 141697834
CID 141785204
CID 141785204
1-[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]-N-methylmethanamine
CID 141929515
N-[2-[[(3E)-5-aminohexa-1,3,5-trien-3-yl]amino]ethyl]-N,N'-dimethylmethanimidamide;ethane
CID 142226043
6-ethenyl-4-[(Z)-1-(methylamino)prop-1-en-2-yl]-2-methylimino-1,3-dihydropyrazine-5-thiol
CID 142817049

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(1-methyl-2H-pyridin-4-yl)amino]ethyl]ethanimidamide?
The IUPAC name of N'-[2-[(1-methyl-2H-pyridin-4-yl)amino]ethyl]ethanimidamide (CID 142175218) is N'-[2-[(1-methyl-2H-pyridin-4-yl)amino]ethyl]ethanimidamide.
What is the SMILES notation for N'-[2-[(1-methyl-2H-pyridin-4-yl)amino]ethyl]ethanimidamide?
The canonical SMILES for N'-[2-[(1-methyl-2H-pyridin-4-yl)amino]ethyl]ethanimidamide is C/C(N)=N\CCNC1=CCN(C)C=C1.
What is the InChIKey of N'-[2-[(1-methyl-2H-pyridin-4-yl)amino]ethyl]ethanimidamide?
The InChIKey is YVQVCEJDHOCGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-9(11)12-5-6-13-10-3-7-14(2)8-4-10/h3-4,7,13H,5-6,8H2,1-2H3,(H2,11,12).
What are the key properties of N'-[2-[(1-methyl-2H-pyridin-4-yl)amino]ethyl]ethanimidamide?
N'-[2-[(1-methyl-2H-pyridin-4-yl)amino]ethyl]ethanimidamide has a molecular weight of 194.28 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(1-methyl-2H-pyridin-4-yl)amino]ethyl]ethanimidamide is sourced from PubChem (CID 142175218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).