2-methyl-1-[(3E)-3-methylhepta-3,5-dien-2-ylidene]-3-(2-methylpropyl)guanidine

C14H25N3 — CID 123557804

IUPAC2-methyl-1-[(3E)-3-methylhepta-3,5-dien-2-ylidene]-3-(2-methylpropyl)guanidine
SMILESCC=C/C=C(\C)C(C)=N/C(=N/C)NCC(C)C
InChIInChI=1S/C14H25N3/c1-7-8-9-12(4)13(5)17-14(15-6)16-10-11(2)3/h7-9,11H,10H2,1-6H3,(H,15,16)/b8-7?,12-9+,17-13?
InChIKeyCRUQLDRNVWMYMN-DUUMQMCOSA-N
MW235.38 g/mol
LogP3.20
Rot. Bonds4

About 2-methyl-1-[(3E)-3-methylhepta-3,5-dien-2-ylidene]-3-(2-methylpropyl)guanidine

2-methyl-1-[(3E)-3-methylhepta-3,5-dien-2-ylidene]-3-(2-methylpropyl)guanidine (PubChem CID 123557804) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 2-methyl-1-[(3E)-3-methylhepta-3,5-dien-2-ylidene]-3-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[(3E)-3-methylhepta-3,5-dien-2-ylidene]-3-(2-methylpropyl)guanidine
PubChem CID123557804
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name2-methyl-1-[(3E)-3-methylhepta-3,5-dien-2-ylidene]-3-(2-methylpropyl)guanidine
SMILESCC=C/C=C(\C)C(C)=N/C(=N/C)NCC(C)C
InChIInChI=1S/C14H25N3/c1-7-8-9-12(4)13(5)17-14(15-6)16-10-11(2)3/h7-9,11H,10H2,1-6H3,(H,15,16)/b8-7?,12-9+,17-13?
InChIKeyCRUQLDRNVWMYMN-DUUMQMCOSA-N
XLogP3.20
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-methylidene-2-methyliminohept-3-enyl)methanediamine
CID 123568221
ethene;N-ethyl-N',2-dimethylhexa-3,5-dienimidamide
CID 143713153
1-[(Z,2E)-2-ethylidenepent-3-enyl]-2-methyl-3-propylideneguanidine
CID 173871389
2,6-dimethyl-4-[(3Z)-penta-1,3-dien-2-yl]-1,2-dihydro-1,3,5-triazine
CID 176547519
N,N'-di(propan-2-yl)cyclopenta-2,4-diene-1-carboximidamide
CID 102040605
(5E)-2-methyl-N-(3-methylbutan-2-yl)-5-[(Z)-pent-2-enylidene]-2,6-dihydro-1H-pyrimidin-4-amine
CID 143396493
N-ethyl-N',2-dimethylhexa-3,5-dienimidamide
CID 143713154

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3E)-3-methylhepta-3,5-dien-2-ylidene]-3-(2-methylpropyl)guanidine?
The IUPAC name of 2-methyl-1-[(3E)-3-methylhepta-3,5-dien-2-ylidene]-3-(2-methylpropyl)guanidine (CID 123557804) is 2-methyl-1-[(3E)-3-methylhepta-3,5-dien-2-ylidene]-3-(2-methylpropyl)guanidine.
What is the SMILES notation for 2-methyl-1-[(3E)-3-methylhepta-3,5-dien-2-ylidene]-3-(2-methylpropyl)guanidine?
The canonical SMILES for 2-methyl-1-[(3E)-3-methylhepta-3,5-dien-2-ylidene]-3-(2-methylpropyl)guanidine is CC=C/C=C(\C)C(C)=N/C(=N/C)NCC(C)C.
What is the InChIKey of 2-methyl-1-[(3E)-3-methylhepta-3,5-dien-2-ylidene]-3-(2-methylpropyl)guanidine?
The InChIKey is CRUQLDRNVWMYMN-DUUMQMCOSA-N. The full InChI is InChI=1S/C14H25N3/c1-7-8-9-12(4)13(5)17-14(15-6)16-10-11(2)3/h7-9,11H,10H2,1-6H3,(H,15,16)/b8-7?,12-9+,17-13?.
What are the key properties of 2-methyl-1-[(3E)-3-methylhepta-3,5-dien-2-ylidene]-3-(2-methylpropyl)guanidine?
2-methyl-1-[(3E)-3-methylhepta-3,5-dien-2-ylidene]-3-(2-methylpropyl)guanidine has a molecular weight of 235.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3E)-3-methylhepta-3,5-dien-2-ylidene]-3-(2-methylpropyl)guanidine is sourced from PubChem (CID 123557804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).