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

C17H34IN3O — CID 109483256

IUPAC3-[3-(cyclopropylmethoxy)propyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\C)NCCCOCC1CC1.I
InChIInChI=1S/C17H33N3O.HI/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);1H
InChIKeyZNHPGFCTRWBUIY-UHFFFAOYSA-N
MW423.38 g/mol
LogP3.67
Rot. Bonds12

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

3-[3-(cyclopropylmethoxy)propyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide (PubChem CID 109483256) has the molecular formula C17H34IN3O and a molecular weight of 423.38 g/mol. Its IUPAC name is 3-[3-(cyclopropylmethoxy)propyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name3-[3-(cyclopropylmethoxy)propyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
PubChem CID109483256
Molecular FormulaC17H34IN3O
Molecular Weight423.38 g/mol
Exact Mass423.17
IUPAC Name3-[3-(cyclopropylmethoxy)propyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\C)NCCCOCC1CC1.I
InChIInChI=1S/C17H33N3O.HI/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);1H
InChIKeyZNHPGFCTRWBUIY-UHFFFAOYSA-N
XLogP3.67
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.38
LogP ≤ 53.67
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopropylmethoxy)propyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide?
The IUPAC name of 3-[3-(cyclopropylmethoxy)propyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide (CID 109483256) is 3-[3-(cyclopropylmethoxy)propyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide.
What is the SMILES notation for 3-[3-(cyclopropylmethoxy)propyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide?
The canonical SMILES for 3-[3-(cyclopropylmethoxy)propyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide is C=CCCCCCN(C)/C(=N\C)NCCCOCC1CC1.I.
What is the InChIKey of 3-[3-(cyclopropylmethoxy)propyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide?
The InChIKey is ZNHPGFCTRWBUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O.HI/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);1H.
What are the key properties of 3-[3-(cyclopropylmethoxy)propyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide?
3-[3-(cyclopropylmethoxy)propyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide has a molecular weight of 423.38 g/mol, XLogP of 3.67, 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;hydroiodide is sourced from PubChem (CID 109483256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).