(2E)-2-amino-3-(ethylideneamino)-7-methylnona-2,8-dienimidamide

C12H22N4 — CID 126593784

IUPAC(2E)-2-amino-3-(ethylideneamino)-7-methylnona-2,8-dienimidamide
SMILES[H]/N=C(N)/C(N)=C(CCCC(C)C=C)\N=C\C
InChIInChI=1S/C12H22N4/c1-4-9(3)7-6-8-10(16-5-2)11(13)12(14)15/h4-5,9H,1,6-8,13H2,2-3H3,(H3,14,15)/b11-10+,16-5+
InChIKeyIYWFWULIEPRUPB-QJDUYPNCSA-N
MW222.34 g/mol
LogP2.18
Rot. Bonds7

About (2E)-2-amino-3-(ethylideneamino)-7-methylnona-2,8-dienimidamide

(2E)-2-amino-3-(ethylideneamino)-7-methylnona-2,8-dienimidamide (PubChem CID 126593784) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is (2E)-2-amino-3-(ethylideneamino)-7-methylnona-2,8-dienimidamide.

Molecular Properties

Compound Name(2E)-2-amino-3-(ethylideneamino)-7-methylnona-2,8-dienimidamide
PubChem CID126593784
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name(2E)-2-amino-3-(ethylideneamino)-7-methylnona-2,8-dienimidamide
SMILES[H]/N=C(N)/C(N)=C(CCCC(C)C=C)\N=C\C
InChIInChI=1S/C12H22N4/c1-4-9(3)7-6-8-10(16-5-2)11(13)12(14)15/h4-5,9H,1,6-8,13H2,2-3H3,(H3,14,15)/b11-10+,16-5+
InChIKeyIYWFWULIEPRUPB-QJDUYPNCSA-N
XLogP2.18
TPSA88.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E)-2-amino-3-(ethylideneamino)-7-methylnona-2,8-dienimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyloct-7-enoate
CID 140706101
3,8-dimethylnon-1-ene
CID 54356105
7-chloro-8-fluoro-3-methylnona-1,7-diene
CID 123281974
3,8,9-trimethylundeca-1,9-diene
CID 123230555
(3R,7S,8Z)-7-methyldeca-1,8-dien-3-ol
CID 10931836
(E)-2-amino-3-[[(3S,5R)-5-ethyl-3-hydroxyoxolan-2-yl]amino]-3-[(Z)-ethylideneamino]prop-2-enimidamide;prop-1-ene
CID 145022739
(6E)-3-methylocta-1,6-diene
CID 14140905
2,5-dimethylhept-6-enal
CID 88788284
2,6-dimethyloct-7-enoic acid
CID 59229292
(3R,7S)-3,7,11-trimethyldodec-1-ene
CID 25113592
N'-(2-methylbut-3-enyl)ethanimidamide
CID 123859645
acetylene;3-methylhept-1-ene;propane
CID 144520771

Frequently Asked Questions

What is the IUPAC name of (2E)-2-amino-3-(ethylideneamino)-7-methylnona-2,8-dienimidamide?
The IUPAC name of (2E)-2-amino-3-(ethylideneamino)-7-methylnona-2,8-dienimidamide (CID 126593784) is (2E)-2-amino-3-(ethylideneamino)-7-methylnona-2,8-dienimidamide.
What is the SMILES notation for (2E)-2-amino-3-(ethylideneamino)-7-methylnona-2,8-dienimidamide?
The canonical SMILES for (2E)-2-amino-3-(ethylideneamino)-7-methylnona-2,8-dienimidamide is [H]/N=C(N)/C(N)=C(CCCC(C)C=C)\N=C\C.
What is the InChIKey of (2E)-2-amino-3-(ethylideneamino)-7-methylnona-2,8-dienimidamide?
The InChIKey is IYWFWULIEPRUPB-QJDUYPNCSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-9(3)7-6-8-10(16-5-2)11(13)12(14)15/h4-5,9H,1,6-8,13H2,2-3H3,(H3,14,15)/b11-10+,16-5+.
What are the key properties of (2E)-2-amino-3-(ethylideneamino)-7-methylnona-2,8-dienimidamide?
(2E)-2-amino-3-(ethylideneamino)-7-methylnona-2,8-dienimidamide has a molecular weight of 222.34 g/mol, XLogP of 2.18, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-amino-3-(ethylideneamino)-7-methylnona-2,8-dienimidamide is sourced from PubChem (CID 126593784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).