2-ethyl-1-hept-6-enyl-1-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide

C15H30IN3 — CID 109483718

IUPAC2-ethyl-1-hept-6-enyl-1-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\CC)NC1CC1C.I
InChIInChI=1S/C15H29N3.HI/c1-5-7-8-9-10-11-18(4)15(16-6-2)17-14-12-13(14)3;/h5,13-14H,1,6-12H2,2-4H3,(H,16,17);1H
InChIKeyDSOWPIYUYGPOCN-UHFFFAOYSA-N
MW379.33 g/mol
LogP3.66
Rot. Bonds8

About 2-ethyl-1-hept-6-enyl-1-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide

2-ethyl-1-hept-6-enyl-1-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide (PubChem CID 109483718) has the molecular formula C15H30IN3 and a molecular weight of 379.33 g/mol. Its IUPAC name is 2-ethyl-1-hept-6-enyl-1-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-ethyl-1-hept-6-enyl-1-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
PubChem CID109483718
Molecular FormulaC15H30IN3
Molecular Weight379.33 g/mol
Exact Mass379.15
IUPAC Name2-ethyl-1-hept-6-enyl-1-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\CC)NC1CC1C.I
InChIInChI=1S/C15H29N3.HI/c1-5-7-8-9-10-11-18(4)15(16-6-2)17-14-12-13(14)3;/h5,13-14H,1,6-12H2,2-4H3,(H,16,17);1H
InChIKeyDSOWPIYUYGPOCN-UHFFFAOYSA-N
XLogP3.66
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 53.66
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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-hept-6-enyl-1-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide?
The IUPAC name of 2-ethyl-1-hept-6-enyl-1-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide (CID 109483718) is 2-ethyl-1-hept-6-enyl-1-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide.
What is the SMILES notation for 2-ethyl-1-hept-6-enyl-1-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide?
The canonical SMILES for 2-ethyl-1-hept-6-enyl-1-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide is C=CCCCCCN(C)/C(=N\CC)NC1CC1C.I.
What is the InChIKey of 2-ethyl-1-hept-6-enyl-1-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide?
The InChIKey is DSOWPIYUYGPOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3.HI/c1-5-7-8-9-10-11-18(4)15(16-6-2)17-14-12-13(14)3;/h5,13-14H,1,6-12H2,2-4H3,(H,16,17);1H.
What are the key properties of 2-ethyl-1-hept-6-enyl-1-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide?
2-ethyl-1-hept-6-enyl-1-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide has a molecular weight of 379.33 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-hept-6-enyl-1-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide is sourced from PubChem (CID 109483718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).