3-(C,N-dimethylcarbonimidoyl)oct-2-en-2-yl-ethylidene-methylazanium

C14H27N2+ — CID 91207346

IUPAC3-(C,N-dimethylcarbonimidoyl)oct-2-en-2-yl-ethylidene-methylazanium
SMILESC/C=[N+](\C)C(C)=C(CCCCC)/C(C)=N/C
InChIInChI=1S/C14H27N2/c1-7-9-10-11-14(12(3)15-5)13(4)16(6)8-2/h8H,7,9-11H2,1-6H3/q+1/b14-13?,15-12+,16-8+
InChIKeyRJYOYHDATDZHLH-LVASLQBMSA-N
MW223.38 g/mol
LogP3.66
Rot. Bonds6

About 3-(C,N-dimethylcarbonimidoyl)oct-2-en-2-yl-ethylidene-methylazanium

3-(C,N-dimethylcarbonimidoyl)oct-2-en-2-yl-ethylidene-methylazanium (PubChem CID 91207346) has the molecular formula C14H27N2+ and a molecular weight of 223.38 g/mol. Its IUPAC name is 3-(C,N-dimethylcarbonimidoyl)oct-2-en-2-yl-ethylidene-methylazanium.

Molecular Properties

Compound Name3-(C,N-dimethylcarbonimidoyl)oct-2-en-2-yl-ethylidene-methylazanium
PubChem CID91207346
Molecular FormulaC14H27N2+
Molecular Weight223.38 g/mol
Exact Mass223.22
IUPAC Name3-(C,N-dimethylcarbonimidoyl)oct-2-en-2-yl-ethylidene-methylazanium
SMILESC/C=[N+](\C)C(C)=C(CCCCC)/C(C)=N/C
InChIInChI=1S/C14H27N2/c1-7-9-10-11-14(12(3)15-5)13(4)16(6)8-2/h8H,7,9-11H2,1-6H3/q+1/b14-13?,15-12+,16-8+
InChIKeyRJYOYHDATDZHLH-LVASLQBMSA-N
XLogP3.66
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(6-methyl-4,5-dihydro-3H-azepin-7-yl)ethanimine
CID 123292891
1-N-(2-ethylcyclopenten-1-yl)-4-N-methylpentane-1,4-diimine
CID 123377636
N-[(1Z)-2-methanimidoylcycloundecen-1-yl]ethanimine
CID 132001613
ethane;(2Z)-1-N-methyl-2-[1-(methylideneamino)ethylidene]pentane-1,4-diimine
CID 141838865
1-[2-(Ethylideneamino)cyclohexen-1-yl]pentan-1-imine
CID 141889859
2-N,2-N,9-N,9-N,11,17-hexamethyl-12,16,19,23-tetrazabicyclo[8.7.7]tetracosa-1,9,11,16,18,23-hexaene-2,9-diamine
CID 153994097
2-N,2-N,10-N,10-N,12,18-hexamethyl-13,17,20,24-tetrazabicyclo[9.7.7]pentacosa-1,10,12,17,19,24-hexaene-2,10-diamine
CID 154184288
1,5,6-trimethyl-3H-pyridin-1-ium-4-imine
CID 7340195
(Z)-2-N-ethylidene-4-N,3-dimethylhept-2-ene-2,4-diimine
CID 143822419
N-ethyl-1-(5-methyl-3,4-dihydropyridin-6-yl)ethanimine
CID 145259418
(Z)-4-N-methylidene-2-N-propan-2-yl-3-propylhex-3-ene-2,4-diimine
CID 176553173

Frequently Asked Questions

What is the IUPAC name of 3-(C,N-dimethylcarbonimidoyl)oct-2-en-2-yl-ethylidene-methylazanium?
The IUPAC name of 3-(C,N-dimethylcarbonimidoyl)oct-2-en-2-yl-ethylidene-methylazanium (CID 91207346) is 3-(C,N-dimethylcarbonimidoyl)oct-2-en-2-yl-ethylidene-methylazanium.
What is the SMILES notation for 3-(C,N-dimethylcarbonimidoyl)oct-2-en-2-yl-ethylidene-methylazanium?
The canonical SMILES for 3-(C,N-dimethylcarbonimidoyl)oct-2-en-2-yl-ethylidene-methylazanium is C/C=[N+](\C)C(C)=C(CCCCC)/C(C)=N/C.
What is the InChIKey of 3-(C,N-dimethylcarbonimidoyl)oct-2-en-2-yl-ethylidene-methylazanium?
The InChIKey is RJYOYHDATDZHLH-LVASLQBMSA-N. The full InChI is InChI=1S/C14H27N2/c1-7-9-10-11-14(12(3)15-5)13(4)16(6)8-2/h8H,7,9-11H2,1-6H3/q+1/b14-13?,15-12+,16-8+.
What are the key properties of 3-(C,N-dimethylcarbonimidoyl)oct-2-en-2-yl-ethylidene-methylazanium?
3-(C,N-dimethylcarbonimidoyl)oct-2-en-2-yl-ethylidene-methylazanium has a molecular weight of 223.38 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(C,N-dimethylcarbonimidoyl)oct-2-en-2-yl-ethylidene-methylazanium is sourced from PubChem (CID 91207346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).