[(E)-4-(2-aminoethyl)-6-methyloct-6-enylidene]-methylideneazanium

C12H23N2+ — CID 163819994

IUPAC[(E)-4-(2-aminoethyl)-6-methyloct-6-enylidene]-methylideneazanium
SMILESC=[N+]=CCCC(CCN)C/C(C)=C/C
InChIInChI=1S/C12H23N2/c1-4-11(2)10-12(7-8-13)6-5-9-14-3/h4,9,12H,3,5-8,10,13H2,1-2H3/q+1/b11-4+
InChIKeyRWYHCPWNQWJYKV-NYYWCZLTSA-N
MW195.33 g/mol
LogP1.93
Rot. Bonds7

About [(E)-4-(2-aminoethyl)-6-methyloct-6-enylidene]-methylideneazanium

[(E)-4-(2-aminoethyl)-6-methyloct-6-enylidene]-methylideneazanium (PubChem CID 163819994) has the molecular formula C12H23N2+ and a molecular weight of 195.33 g/mol. Its IUPAC name is [(E)-4-(2-aminoethyl)-6-methyloct-6-enylidene]-methylideneazanium.

Molecular Properties

Compound Name[(E)-4-(2-aminoethyl)-6-methyloct-6-enylidene]-methylideneazanium
PubChem CID163819994
Molecular FormulaC12H23N2+
Molecular Weight195.33 g/mol
Exact Mass195.19
IUPAC Name[(E)-4-(2-aminoethyl)-6-methyloct-6-enylidene]-methylideneazanium
SMILESC=[N+]=CCCC(CCN)C/C(C)=C/C
InChIInChI=1S/C12H23N2/c1-4-11(2)10-12(7-8-13)6-5-9-14-3/h4,9,12H,3,5-8,10,13H2,1-2H3/q+1/b11-4+
InChIKeyRWYHCPWNQWJYKV-NYYWCZLTSA-N
XLogP1.93
TPSA40.12 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-(2-amino-1-fluoroethyl)-N-butylidene-N'-methylcyclohexene-1-carboximidamide
CID 167480711
(Z)-4-methyl-2-propylhex-4-en-1-imine
CID 89697919
10-Butylidene-4-[3-(methylideneamino)propyl]hexadecan-1-amine
CID 91406435
(E)-N-methyl-6-methylimino-4-propan-2-ylhex-4-en-1-amine
CID 123193034
3-Methanimidoyl-5-methyloct-5-en-1-amine
CID 123629211
4-[2-(3,4-Dihydropyrrol-1-ium-3-yl)ethyl]hept-3-en-2-amine
CID 123729644
N,5-diethyl-3-methyl-9-methyliminonon-3-en-1-amine
CID 123998295
4-(3,4-Dihydropyridin-5-yl)pentan-1-amine
CID 124029169
2-(2-Ethylcycloprop-2-en-1-yl)-3-iminopropan-1-amine
CID 124095660
(E,3E)-3-ethylidene-2-(methyliminomethyl)oct-5-en-1-amine
CID 126536282
(5S)-5-methanimidoyl-6-methylhept-6-en-1-amine
CID 126592924
(5E)-N-ethyl-3,6,8-trimethyl-2,3,4,7,8,9-hexahydroazecin-9-amine
CID 132037049

Frequently Asked Questions

What is the IUPAC name of [(E)-4-(2-aminoethyl)-6-methyloct-6-enylidene]-methylideneazanium?
The IUPAC name of [(E)-4-(2-aminoethyl)-6-methyloct-6-enylidene]-methylideneazanium (CID 163819994) is [(E)-4-(2-aminoethyl)-6-methyloct-6-enylidene]-methylideneazanium.
What is the SMILES notation for [(E)-4-(2-aminoethyl)-6-methyloct-6-enylidene]-methylideneazanium?
The canonical SMILES for [(E)-4-(2-aminoethyl)-6-methyloct-6-enylidene]-methylideneazanium is C=[N+]=CCCC(CCN)C/C(C)=C/C.
What is the InChIKey of [(E)-4-(2-aminoethyl)-6-methyloct-6-enylidene]-methylideneazanium?
The InChIKey is RWYHCPWNQWJYKV-NYYWCZLTSA-N. The full InChI is InChI=1S/C12H23N2/c1-4-11(2)10-12(7-8-13)6-5-9-14-3/h4,9,12H,3,5-8,10,13H2,1-2H3/q+1/b11-4+.
What are the key properties of [(E)-4-(2-aminoethyl)-6-methyloct-6-enylidene]-methylideneazanium?
[(E)-4-(2-aminoethyl)-6-methyloct-6-enylidene]-methylideneazanium has a molecular weight of 195.33 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-(2-aminoethyl)-6-methyloct-6-enylidene]-methylideneazanium is sourced from PubChem (CID 163819994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).