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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopropyl-2-ethyl-1-hept-6-enyl-1-methylguanidine
CID 109483459
1-butyl-2-ethyl-1-methyl-3-(2-methylcyclopropyl)guanidine
CID 111158817
1,2-dimethyl-1-pent-4-enyl-3-(2-propylcyclopropyl)guanidine
CID 109496868
N-cyclopropyl-2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]acetamide;hydroiodide
CID 109484514
3-ethyl-1-hept-6-enyl-1-methyl-2-[(1-methylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 109483318
2-[(1,1-dioxothiolan-3-yl)methyl]-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
CID 109484346
3-butyl-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109483890
3-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide
CID 109484122
2-ethyl-1-methyl-3-(2-methylcyclopropyl)-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109384235
2-(3-ethoxypropyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine
CID 109484295
2-[[[hept-6-enyl(methyl)amino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043724
3-ethyl-1-hept-6-enyl-1-methyl-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 109483158

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).