3-ethyl-1-hept-6-enyl-1-methyl-2-[2-(oxolan-2-yl)ethyl]guanidine

C17H33N3O — CID 109483285

IUPAC3-ethyl-1-hept-6-enyl-1-methyl-2-[2-(oxolan-2-yl)ethyl]guanidine
SMILESC=CCCCCCN(C)/C(=N/CCC1CCCO1)NCC
InChIInChI=1S/C17H33N3O/c1-4-6-7-8-9-14-20(3)17(18-5-2)19-13-12-16-11-10-15-21-16/h4,16H,1,5-15H2,2-3H3,(H,18,19)
InChIKeyQJZWJNURHHAUDS-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.20
Rot. Bonds10

About 3-ethyl-1-hept-6-enyl-1-methyl-2-[2-(oxolan-2-yl)ethyl]guanidine

3-ethyl-1-hept-6-enyl-1-methyl-2-[2-(oxolan-2-yl)ethyl]guanidine (PubChem CID 109483285) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 3-ethyl-1-hept-6-enyl-1-methyl-2-[2-(oxolan-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name3-ethyl-1-hept-6-enyl-1-methyl-2-[2-(oxolan-2-yl)ethyl]guanidine
PubChem CID109483285
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name3-ethyl-1-hept-6-enyl-1-methyl-2-[2-(oxolan-2-yl)ethyl]guanidine
SMILESC=CCCCCCN(C)/C(=N/CCC1CCCO1)NCC
InChIInChI=1S/C17H33N3O/c1-4-6-7-8-9-14-20(3)17(18-5-2)19-13-12-16-11-10-15-21-16/h4,16H,1,5-15H2,2-3H3,(H,18,19)
InChIKeyQJZWJNURHHAUDS-UHFFFAOYSA-N
XLogP3.20
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.20
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'}

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Related Compounds

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
3-Ethyl-1-hept-6-enyl-2-(5-methoxypentyl)-1-methylguanidine;hydroiodide
CID 109483164
3-Ethyl-1-hept-6-enyl-2-(5-methoxypentyl)-1-methylguanidine
CID 109483165
1-Hept-6-enyl-1,2-dimethyl-3-(3-propan-2-yloxypropyl)guanidine;hydroiodide
CID 109483174
1-Hept-6-enyl-1,2-dimethyl-3-(3-propan-2-yloxypropyl)guanidine
CID 109483175
3-[3-(Cyclopropylmethoxy)propyl]-1-hept-6-enyl-1,2-dimethylguanidine
CID 109483257
3-Ethyl-1-hept-6-enyl-1-methyl-2-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide
CID 109483284
1-Hept-6-enyl-1,2-dimethyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 109483357
3-[4-(Dimethylamino)-2-ethoxybutyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109483384
3-[4-(Dimethylamino)-2-ethoxybutyl]-1-hept-6-enyl-1,2-dimethylguanidine
CID 109483385
3-(3-Ethoxypropyl)-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109483464

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-hept-6-enyl-1-methyl-2-[2-(oxolan-2-yl)ethyl]guanidine?
The IUPAC name of 3-ethyl-1-hept-6-enyl-1-methyl-2-[2-(oxolan-2-yl)ethyl]guanidine (CID 109483285) is 3-ethyl-1-hept-6-enyl-1-methyl-2-[2-(oxolan-2-yl)ethyl]guanidine.
What is the SMILES notation for 3-ethyl-1-hept-6-enyl-1-methyl-2-[2-(oxolan-2-yl)ethyl]guanidine?
The canonical SMILES for 3-ethyl-1-hept-6-enyl-1-methyl-2-[2-(oxolan-2-yl)ethyl]guanidine is C=CCCCCCN(C)/C(=N/CCC1CCCO1)NCC.
What is the InChIKey of 3-ethyl-1-hept-6-enyl-1-methyl-2-[2-(oxolan-2-yl)ethyl]guanidine?
The InChIKey is QJZWJNURHHAUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-4-6-7-8-9-14-20(3)17(18-5-2)19-13-12-16-11-10-15-21-16/h4,16H,1,5-15H2,2-3H3,(H,18,19).
What are the key properties of 3-ethyl-1-hept-6-enyl-1-methyl-2-[2-(oxolan-2-yl)ethyl]guanidine?
3-ethyl-1-hept-6-enyl-1-methyl-2-[2-(oxolan-2-yl)ethyl]guanidine has a molecular weight of 295.47 g/mol, XLogP of 3.20, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-hept-6-enyl-1-methyl-2-[2-(oxolan-2-yl)ethyl]guanidine is sourced from PubChem (CID 109483285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).