1-hept-6-enyl-1,2-dimethyl-3-(3-propan-2-yloxypropyl)guanidine

C16H33N3O — CID 109483175

IUPAC1-hept-6-enyl-1,2-dimethyl-3-(3-propan-2-yloxypropyl)guanidine
SMILESC=CCCCCCN(C)/C(=N/C)NCCCOC(C)C
InChIInChI=1S/C16H33N3O/c1-6-7-8-9-10-13-19(5)16(17-4)18-12-11-14-20-15(2)3/h6,15H,1,7-14H2,2-5H3,(H,17,18)
InChIKeyFOHDCAYOMWJNLS-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.06
Rot. Bonds11

About 1-hept-6-enyl-1,2-dimethyl-3-(3-propan-2-yloxypropyl)guanidine

1-hept-6-enyl-1,2-dimethyl-3-(3-propan-2-yloxypropyl)guanidine (PubChem CID 109483175) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-hept-6-enyl-1,2-dimethyl-3-(3-propan-2-yloxypropyl)guanidine.

Molecular Properties

Compound Name1-hept-6-enyl-1,2-dimethyl-3-(3-propan-2-yloxypropyl)guanidine
PubChem CID109483175
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name1-hept-6-enyl-1,2-dimethyl-3-(3-propan-2-yloxypropyl)guanidine
SMILESC=CCCCCCN(C)/C(=N/C)NCCCOC(C)C
InChIInChI=1S/C16H33N3O/c1-6-7-8-9-10-13-19(5)16(17-4)18-12-11-14-20-15(2)3/h6,15H,1,7-14H2,2-5H3,(H,17,18)
InChIKeyFOHDCAYOMWJNLS-UHFFFAOYSA-N
XLogP3.06
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-hept-6-enyl-1,2-dimethyl-3-(3-propan-2-yloxypropyl)guanidine 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

1-Hept-6-enyl-1,2-dimethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 109482908
1-Hept-6-enyl-1,2-dimethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 109482909
3-Ethyl-1-hept-6-enyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-1-methylguanidine
CID 109482937
propan-2-yl 3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanoate;hydroiodide
CID 109482964
propan-2-yl 3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanoate
CID 109482965
3-Ethyl-1-hept-6-enyl-1-methyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 109483014
3-Ethyl-1-hept-6-enyl-1-methyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 109483015
2-(2-Ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
CID 109483046
2-(2-Ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine
CID 109483047
3-Ethyl-1-hept-6-enyl-2-(2-methoxy-2-methylpropyl)-1-methylguanidine;hydroiodide
CID 109483106
3-Ethyl-1-hept-6-enyl-2-(2-methoxy-2-methylpropyl)-1-methylguanidine
CID 109483107
3-Ethyl-1-hept-6-enyl-2-(5-methoxypentyl)-1-methylguanidine;hydroiodide
CID 109483164

Frequently Asked Questions

What is the IUPAC name of 1-hept-6-enyl-1,2-dimethyl-3-(3-propan-2-yloxypropyl)guanidine?
The IUPAC name of 1-hept-6-enyl-1,2-dimethyl-3-(3-propan-2-yloxypropyl)guanidine (CID 109483175) is 1-hept-6-enyl-1,2-dimethyl-3-(3-propan-2-yloxypropyl)guanidine.
What is the SMILES notation for 1-hept-6-enyl-1,2-dimethyl-3-(3-propan-2-yloxypropyl)guanidine?
The canonical SMILES for 1-hept-6-enyl-1,2-dimethyl-3-(3-propan-2-yloxypropyl)guanidine is C=CCCCCCN(C)/C(=N/C)NCCCOC(C)C.
What is the InChIKey of 1-hept-6-enyl-1,2-dimethyl-3-(3-propan-2-yloxypropyl)guanidine?
The InChIKey is FOHDCAYOMWJNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-6-7-8-9-10-13-19(5)16(17-4)18-12-11-14-20-15(2)3/h6,15H,1,7-14H2,2-5H3,(H,17,18).
What are the key properties of 1-hept-6-enyl-1,2-dimethyl-3-(3-propan-2-yloxypropyl)guanidine?
1-hept-6-enyl-1,2-dimethyl-3-(3-propan-2-yloxypropyl)guanidine has a molecular weight of 283.46 g/mol, XLogP of 3.06, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-6-enyl-1,2-dimethyl-3-(3-propan-2-yloxypropyl)guanidine is sourced from PubChem (CID 109483175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).