ethyl-[1-[6-(N-ethyl-C-methylcarbonimidoyl)pyridin-1-id-2-ylidene]ethyl]-methylideneazanium

C14H21N3 — CID 140956930

IUPACethyl-[1-[6-(N-ethyl-C-methylcarbonimidoyl)pyridin-1-id-2-ylidene]ethyl]-methylideneazanium
SMILESC=[N+](CC)C(C)=C1C=CC=C(/C(C)=N/CC)[N-]1
InChIInChI=1S/C14H21N3/c1-6-15-11(3)13-9-8-10-14(16-13)12(4)17(5)7-2/h8-10H,5-7H2,1-4H3/b14-12?,15-11+
InChIKeyBKWKFJIXQWWOEC-LHICSMIMSA-N
MW231.34 g/mol
LogP3.26
Rot. Bonds4

About ethyl-[1-[6-(N-ethyl-C-methylcarbonimidoyl)pyridin-1-id-2-ylidene]ethyl]-methylideneazanium

ethyl-[1-[6-(N-ethyl-C-methylcarbonimidoyl)pyridin-1-id-2-ylidene]ethyl]-methylideneazanium (PubChem CID 140956930) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is ethyl-[1-[6-(N-ethyl-C-methylcarbonimidoyl)pyridin-1-id-2-ylidene]ethyl]-methylideneazanium.

Molecular Properties

Compound Nameethyl-[1-[6-(N-ethyl-C-methylcarbonimidoyl)pyridin-1-id-2-ylidene]ethyl]-methylideneazanium
PubChem CID140956930
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Nameethyl-[1-[6-(N-ethyl-C-methylcarbonimidoyl)pyridin-1-id-2-ylidene]ethyl]-methylideneazanium
SMILESC=[N+](CC)C(C)=C1C=CC=C(/C(C)=N/CC)[N-]1
InChIInChI=1S/C14H21N3/c1-6-15-11(3)13-9-8-10-14(16-13)12(4)17(5)7-2/h8-10H,5-7H2,1-4H3/b14-12?,15-11+
InChIKeyBKWKFJIXQWWOEC-LHICSMIMSA-N
XLogP3.26
TPSA29.47 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[N-isopropyl-2-(isopropylamino)troponiminato]-methylzinc
CID 11543752
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CID 135046310
N-propan-2-yl-3,4-dihydroquinolizin-2-imine
CID 145918539
4-diazo-N,N-dipropylcyclohexa-1,5-dien-1-amine
CID 19014007
N,N-dibutyl-4-diazocyclohexa-1,5-dien-1-amine
CID 54337352
N-butyl-1-methyl-2,6-dihydropyridin-3-imine
CID 57045078
3-(3-ethylimino-2,6-dihydropyridin-1-yl)-N,N-dimethylpropan-1-amine
CID 57171418
1-[(1-but-1-en-2-yl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4H-pyridin-1-ium-4-ide;yttrium
CID 59188823
2-methyl-5-[(2-methylidene-3H-pyrrol-1-yl)methyl]-3H-pyridin-3-ide;yttrium
CID 60014965
4-Methyl-2,3-dihydrocyclopenta[b]pyrazine
CID 66649807
4-diazo-N,N-dipropylcyclohexa-1,5-dien-1-amine;hydrochloride
CID 88799573
(1E,3E)-5-ethenylimino-N,N-dimethylhexa-1,3-dien-1-amine
CID 89257885

Frequently Asked Questions

What is the IUPAC name of ethyl-[1-[6-(N-ethyl-C-methylcarbonimidoyl)pyridin-1-id-2-ylidene]ethyl]-methylideneazanium?
The IUPAC name of ethyl-[1-[6-(N-ethyl-C-methylcarbonimidoyl)pyridin-1-id-2-ylidene]ethyl]-methylideneazanium (CID 140956930) is ethyl-[1-[6-(N-ethyl-C-methylcarbonimidoyl)pyridin-1-id-2-ylidene]ethyl]-methylideneazanium.
What is the SMILES notation for ethyl-[1-[6-(N-ethyl-C-methylcarbonimidoyl)pyridin-1-id-2-ylidene]ethyl]-methylideneazanium?
The canonical SMILES for ethyl-[1-[6-(N-ethyl-C-methylcarbonimidoyl)pyridin-1-id-2-ylidene]ethyl]-methylideneazanium is C=[N+](CC)C(C)=C1C=CC=C(/C(C)=N/CC)[N-]1.
What is the InChIKey of ethyl-[1-[6-(N-ethyl-C-methylcarbonimidoyl)pyridin-1-id-2-ylidene]ethyl]-methylideneazanium?
The InChIKey is BKWKFJIXQWWOEC-LHICSMIMSA-N. The full InChI is InChI=1S/C14H21N3/c1-6-15-11(3)13-9-8-10-14(16-13)12(4)17(5)7-2/h8-10H,5-7H2,1-4H3/b14-12?,15-11+.
What are the key properties of ethyl-[1-[6-(N-ethyl-C-methylcarbonimidoyl)pyridin-1-id-2-ylidene]ethyl]-methylideneazanium?
ethyl-[1-[6-(N-ethyl-C-methylcarbonimidoyl)pyridin-1-id-2-ylidene]ethyl]-methylideneazanium has a molecular weight of 231.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[1-[6-(N-ethyl-C-methylcarbonimidoyl)pyridin-1-id-2-ylidene]ethyl]-methylideneazanium is sourced from PubChem (CID 140956930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).