2-(cyclopropylmethyl)-1-ethyl-3-heptan-2-ylguanidine;hydroiodide

C14H30IN3 — CID 111195113

IUPAC2-(cyclopropylmethyl)-1-ethyl-3-heptan-2-ylguanidine;hydroiodide
SMILESCCCCCC(C)N/C(=N/CC1CC1)NCC.I
InChIInChI=1S/C14H29N3.HI/c1-4-6-7-8-12(3)17-14(15-5-2)16-11-13-9-10-13;/h12-13H,4-11H2,1-3H3,(H2,15,16,17);1H
InChIKeyGEICDVDXRBJGAM-UHFFFAOYSA-N
MW367.32 g/mol
LogP3.54
Rot. Bonds8

About 2-(cyclopropylmethyl)-1-ethyl-3-heptan-2-ylguanidine;hydroiodide

2-(cyclopropylmethyl)-1-ethyl-3-heptan-2-ylguanidine;hydroiodide (PubChem CID 111195113) has the molecular formula C14H30IN3 and a molecular weight of 367.32 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-1-ethyl-3-heptan-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-1-ethyl-3-heptan-2-ylguanidine;hydroiodide
PubChem CID111195113
Molecular FormulaC14H30IN3
Molecular Weight367.32 g/mol
Exact Mass367.15
IUPAC Name2-(cyclopropylmethyl)-1-ethyl-3-heptan-2-ylguanidine;hydroiodide
SMILESCCCCCC(C)N/C(=N/CC1CC1)NCC.I
InChIInChI=1S/C14H29N3.HI/c1-4-6-7-8-12(3)17-14(15-5-2)16-11-13-9-10-13;/h12-13H,4-11H2,1-3H3,(H2,15,16,17);1H
InChIKeyGEICDVDXRBJGAM-UHFFFAOYSA-N
XLogP3.54
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 53.54
H-Bond Donors ≤ 52
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'}

Analyze 2-(cyclopropylmethyl)-1-ethyl-3-heptan-2-ylguanidine;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

2-[2-(cyclopropylmethoxy)ethyl]-1-ethyl-3-heptan-2-ylguanidine
CID 111762505
2-[(1,1-dioxothiolan-3-yl)methyl]-1-ethyl-3-octan-2-ylguanidine
CID 111212745
1-ethyl-3-(6-methylheptan-2-yl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111173368
2-(cyclopropylmethyl)-1-ethyl-3-pentylguanidine;hydroiodide
CID 111128884
1-ethyl-3-heptan-2-yl-2-(2-hydroxyethyl)guanidine;hydroiodide
CID 111195219
2-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-ethyl-3-heptan-2-ylguanidine
CID 111195694
2-(cyclobutylmethyl)-1-ethyl-3-(3-methylbutan-2-yl)guanidine
CID 119116780
1-ethyl-3-heptan-2-yl-2-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide
CID 111195433
1-ethyl-3-octan-2-yl-2-prop-2-ynylguanidine;hydroiodide
CID 111212968
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-ethyl-3-octan-2-ylguanidine;hydroiodide
CID 111212872
1-ethyl-3-heptan-2-yl-2-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
CID 111195085
1-ethyl-3-heptan-2-yl-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111195091

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-1-ethyl-3-heptan-2-ylguanidine;hydroiodide?
The IUPAC name of 2-(cyclopropylmethyl)-1-ethyl-3-heptan-2-ylguanidine;hydroiodide (CID 111195113) is 2-(cyclopropylmethyl)-1-ethyl-3-heptan-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-(cyclopropylmethyl)-1-ethyl-3-heptan-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-(cyclopropylmethyl)-1-ethyl-3-heptan-2-ylguanidine;hydroiodide is CCCCCC(C)N/C(=N/CC1CC1)NCC.I.
What is the InChIKey of 2-(cyclopropylmethyl)-1-ethyl-3-heptan-2-ylguanidine;hydroiodide?
The InChIKey is GEICDVDXRBJGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3.HI/c1-4-6-7-8-12(3)17-14(15-5-2)16-11-13-9-10-13;/h12-13H,4-11H2,1-3H3,(H2,15,16,17);1H.
What are the key properties of 2-(cyclopropylmethyl)-1-ethyl-3-heptan-2-ylguanidine;hydroiodide?
2-(cyclopropylmethyl)-1-ethyl-3-heptan-2-ylguanidine;hydroiodide has a molecular weight of 367.32 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-1-ethyl-3-heptan-2-ylguanidine;hydroiodide is sourced from PubChem (CID 111195113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).