3-cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide

C13H26IN3 — CID 109482952

IUPAC3-cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\C)NC1CC1.I
InChIInChI=1S/C13H25N3.HI/c1-4-5-6-7-8-11-16(3)13(14-2)15-12-9-10-12;/h4,12H,1,5-11H2,2-3H3,(H,14,15);1H
InChIKeyPMTCIKUHGCYDJP-UHFFFAOYSA-N
MW351.28 g/mol
LogP3.02
Rot. Bonds7

About 3-cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide

3-cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide (PubChem CID 109482952) has the molecular formula C13H26IN3 and a molecular weight of 351.28 g/mol. Its IUPAC name is 3-cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name3-cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
PubChem CID109482952
Molecular FormulaC13H26IN3
Molecular Weight351.28 g/mol
Exact Mass351.12
IUPAC Name3-cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\C)NC1CC1.I
InChIInChI=1S/C13H25N3.HI/c1-4-5-6-7-8-11-16(3)13(14-2)15-12-9-10-12;/h4,12H,1,5-11H2,2-3H3,(H,14,15);1H
InChIKeyPMTCIKUHGCYDJP-UHFFFAOYSA-N
XLogP3.02
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Related Compounds

1-Hept-6-enyl-1,2-dimethyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109483544
3-Ethyl-2-(3-fluoropropyl)-1-hept-6-enyl-1-methylguanidine
CID 109484011
1-Hept-6-enyl-1,2-dimethyl-3-(5,5,5-trifluoropentyl)guanidine;hydroiodide
CID 109484214
3-(3-Fluoropropyl)-1-hept-6-enyl-1,2-dimethylguanidine
CID 109484401
1-Methyl-1-pent-4-enyl-2,3-di(propan-2-yl)guanidine
CID 90360688
3-Cyclopropyl-2-ethyl-1-methyl-1-pent-4-enylguanidine
CID 99780291
3-Cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine
CID 109482953
1-Hept-6-enyl-1,2-dimethyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 109482954
1-Hept-6-enyl-1,2-dimethyl-3-(2-methylpropyl)guanidine
CID 109482955
1-Hept-6-enyl-1,2-dimethyl-3-propylguanidine;hydroiodide
CID 109482958
1-Hept-6-enyl-1,2-dimethyl-3-propylguanidine
CID 109482959
1-Hept-6-enyl-1,2-dimethyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 109483008

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide?
The IUPAC name of 3-cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide (CID 109482952) is 3-cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide.
What is the SMILES notation for 3-cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide?
The canonical SMILES for 3-cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide is C=CCCCCCN(C)/C(=N\C)NC1CC1.I.
What is the InChIKey of 3-cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide?
The InChIKey is PMTCIKUHGCYDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3.HI/c1-4-5-6-7-8-11-16(3)13(14-2)15-12-9-10-12;/h4,12H,1,5-11H2,2-3H3,(H,14,15);1H.
What are the key properties of 3-cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide?
3-cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide has a molecular weight of 351.28 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide is sourced from PubChem (CID 109482952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).