1-methyl-2-[(3Z)-3-methylhexa-3,5-dienyl]-1-propan-2-ylguanidine

C12H23N3 — CID 169233258

IUPAC1-methyl-2-[(3Z)-3-methylhexa-3,5-dienyl]-1-propan-2-ylguanidine
SMILESC=C/C=C(/C)CC/N=C(\N)N(C)C(C)C
InChIInChI=1S/C12H23N3/c1-6-7-11(4)8-9-14-12(13)15(5)10(2)3/h6-7,10H,1,8-9H2,2-5H3,(H2,13,14)/b11-7-
InChIKeyLFRMALSIVZULTF-XFFZJAGNSA-N
MW209.34 g/mol
LogP2.16
Rot. Bonds5

About 1-methyl-2-[(3Z)-3-methylhexa-3,5-dienyl]-1-propan-2-ylguanidine

1-methyl-2-[(3Z)-3-methylhexa-3,5-dienyl]-1-propan-2-ylguanidine (PubChem CID 169233258) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-methyl-2-[(3Z)-3-methylhexa-3,5-dienyl]-1-propan-2-ylguanidine.

Molecular Properties

Compound Name1-methyl-2-[(3Z)-3-methylhexa-3,5-dienyl]-1-propan-2-ylguanidine
PubChem CID169233258
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-methyl-2-[(3Z)-3-methylhexa-3,5-dienyl]-1-propan-2-ylguanidine
SMILESC=C/C=C(/C)CC/N=C(\N)N(C)C(C)C
InChIInChI=1S/C12H23N3/c1-6-7-11(4)8-9-14-12(13)15(5)10(2)3/h6-7,10H,1,8-9H2,2-5H3,(H2,13,14)/b11-7-
InChIKeyLFRMALSIVZULTF-XFFZJAGNSA-N
XLogP2.16
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.16
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'}

Analyze 1-methyl-2-[(3Z)-3-methylhexa-3,5-dienyl]-1-propan-2-ylguanidine 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-N-(2-ethylpenta-2,4-dienyl)-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 123354238
2-Butan-2-yl-1-(6-chloro-5-methylhexa-3,5-dien-2-yl)-1-methylguanidine
CID 123614518
4,5-bis(ethenyl)-N'-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 142863718
1-[N'-[(3Z)-3-ethenylhexa-3,5-dienyl]carbamimidoyl]-2-propan-2-ylguanidine
CID 164603185
ethane;1-methyl-2-[(3Z)-3-methylhexa-3,5-dienyl]-1-propan-2-ylguanidine;propane
CID 169233257
1,2-dimethyl-1-[(3Z,5Z)-2-methyl-3-prop-1-ynylhepta-3,5-dienyl]guanidine
CID 170067814
1-(2-Cyclopenta-1,4-dien-1-ylethyl)-3-(diaminomethylidene)-1-methylguanidine
CID 157340920
1-(2-cyclopenta-1,4-dien-1-ylethyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine
CID 157340923
1-(2-Cyclopenta-1,4-dien-1-ylethyl)-3-(diaminomethylidene)-1,2-dimethylguanidine
CID 157340925
2-[N'-(2-cyclopenta-1,4-dien-1-ylethyl)carbamimidoyl]-1,1-dimethylguanidine
CID 157340926
1-(cyclopenta-1,4-dien-1-ylmethyl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine
CID 157387943
1-(Cyclopenta-1,4-dien-1-ylmethyl)-3-(diaminomethylidene)-1,2-dimethylguanidine
CID 157387945

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(3Z)-3-methylhexa-3,5-dienyl]-1-propan-2-ylguanidine?
The IUPAC name of 1-methyl-2-[(3Z)-3-methylhexa-3,5-dienyl]-1-propan-2-ylguanidine (CID 169233258) is 1-methyl-2-[(3Z)-3-methylhexa-3,5-dienyl]-1-propan-2-ylguanidine.
What is the SMILES notation for 1-methyl-2-[(3Z)-3-methylhexa-3,5-dienyl]-1-propan-2-ylguanidine?
The canonical SMILES for 1-methyl-2-[(3Z)-3-methylhexa-3,5-dienyl]-1-propan-2-ylguanidine is C=C/C=C(/C)CC/N=C(\N)N(C)C(C)C.
What is the InChIKey of 1-methyl-2-[(3Z)-3-methylhexa-3,5-dienyl]-1-propan-2-ylguanidine?
The InChIKey is LFRMALSIVZULTF-XFFZJAGNSA-N. The full InChI is InChI=1S/C12H23N3/c1-6-7-11(4)8-9-14-12(13)15(5)10(2)3/h6-7,10H,1,8-9H2,2-5H3,(H2,13,14)/b11-7-.
What are the key properties of 1-methyl-2-[(3Z)-3-methylhexa-3,5-dienyl]-1-propan-2-ylguanidine?
1-methyl-2-[(3Z)-3-methylhexa-3,5-dienyl]-1-propan-2-ylguanidine has a molecular weight of 209.34 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(3Z)-3-methylhexa-3,5-dienyl]-1-propan-2-ylguanidine is sourced from PubChem (CID 169233258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).