3-[3-(cyclopropylmethoxy)propyl]-1-hept-6-enyl-1,2-dimethylguanidine

C17H33N3O — CID 109483257

IUPAC3-[3-(cyclopropylmethoxy)propyl]-1-hept-6-enyl-1,2-dimethylguanidine
SMILESC=CCCCCCN(C)/C(=N\C)NCCCOCC1CC1
InChIInChI=1S/C17H33N3O/c1-4-5-6-7-8-13-20(3)17(18-2)19-12-9-14-21-15-16-10-11-16/h4,16H,1,5-15H2,2-3H3,(H,18,19)
InChIKeyWBLXJRJHDPBKEE-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.06
Rot. Bonds12

About 3-[3-(cyclopropylmethoxy)propyl]-1-hept-6-enyl-1,2-dimethylguanidine

3-[3-(cyclopropylmethoxy)propyl]-1-hept-6-enyl-1,2-dimethylguanidine (PubChem CID 109483257) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 3-[3-(cyclopropylmethoxy)propyl]-1-hept-6-enyl-1,2-dimethylguanidine.

Molecular Properties

Compound Name3-[3-(cyclopropylmethoxy)propyl]-1-hept-6-enyl-1,2-dimethylguanidine
PubChem CID109483257
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name3-[3-(cyclopropylmethoxy)propyl]-1-hept-6-enyl-1,2-dimethylguanidine
SMILESC=CCCCCCN(C)/C(=N\C)NCCCOCC1CC1
InChIInChI=1S/C17H33N3O/c1-4-5-6-7-8-13-20(3)17(18-2)19-12-9-14-21-15-16-10-11-16/h4,16H,1,5-15H2,2-3H3,(H,18,19)
InChIKeyWBLXJRJHDPBKEE-UHFFFAOYSA-N
XLogP3.06
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
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'}

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Related Compounds

2-(2-Ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
CID 109483046
3-Ethyl-1-hept-6-enyl-1-methyl-2-[3-(oxan-4-ylmethoxy)propyl]guanidine;hydroiodide
CID 109483088
3-Ethyl-1-hept-6-enyl-1-methyl-2-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 109483089
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;hydroiodide
CID 109483256
3-Ethyl-1-hept-6-enyl-1-methyl-2-[2-(oxolan-2-yl)ethyl]guanidine
CID 109483285
1-Hept-6-enyl-1,2-dimethyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine;hydroiodide
CID 109483356
1-Hept-6-enyl-1,2-dimethyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 109483357
3-(3-Ethoxypropyl)-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109483464

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopropylmethoxy)propyl]-1-hept-6-enyl-1,2-dimethylguanidine?
The IUPAC name of 3-[3-(cyclopropylmethoxy)propyl]-1-hept-6-enyl-1,2-dimethylguanidine (CID 109483257) is 3-[3-(cyclopropylmethoxy)propyl]-1-hept-6-enyl-1,2-dimethylguanidine.
What is the SMILES notation for 3-[3-(cyclopropylmethoxy)propyl]-1-hept-6-enyl-1,2-dimethylguanidine?
The canonical SMILES for 3-[3-(cyclopropylmethoxy)propyl]-1-hept-6-enyl-1,2-dimethylguanidine is C=CCCCCCN(C)/C(=N\C)NCCCOCC1CC1.
What is the InChIKey of 3-[3-(cyclopropylmethoxy)propyl]-1-hept-6-enyl-1,2-dimethylguanidine?
The InChIKey is WBLXJRJHDPBKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-4-5-6-7-8-13-20(3)17(18-2)19-12-9-14-21-15-16-10-11-16/h4,16H,1,5-15H2,2-3H3,(H,18,19).
What are the key properties of 3-[3-(cyclopropylmethoxy)propyl]-1-hept-6-enyl-1,2-dimethylguanidine?
3-[3-(cyclopropylmethoxy)propyl]-1-hept-6-enyl-1,2-dimethylguanidine has a molecular weight of 295.47 g/mol, XLogP of 3.06, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopropylmethoxy)propyl]-1-hept-6-enyl-1,2-dimethylguanidine is sourced from PubChem (CID 109483257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).