2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide

C16H35IN4 — CID 111096484

IUPAC2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
SMILESCCN(CC/N=C(\N)NC(C)CCCC(C)C)C1CC1.I
InChIInChI=1S/C16H34N4.HI/c1-5-20(15-9-10-15)12-11-18-16(17)19-14(4)8-6-7-13(2)3;/h13-15H,5-12H2,1-4H3,(H3,17,18,19);1H
InChIKeyLODADOHEMXSBFV-UHFFFAOYSA-N
MW410.39 g/mol
LogP3.21
Rot. Bonds10

About 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide

2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide (PubChem CID 111096484) has the molecular formula C16H35IN4 and a molecular weight of 410.39 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
PubChem CID111096484
Molecular FormulaC16H35IN4
Molecular Weight410.39 g/mol
Exact Mass410.19
IUPAC Name2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
SMILESCCN(CC/N=C(\N)NC(C)CCCC(C)C)C1CC1.I
InChIInChI=1S/C16H34N4.HI/c1-5-20(15-9-10-15)12-11-18-16(17)19-14(4)8-6-7-13(2)3;/h13-15H,5-12H2,1-4H3,(H3,17,18,19);1H
InChIKeyLODADOHEMXSBFV-UHFFFAOYSA-N
XLogP3.21
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(6-methylheptan-2-yl)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

2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111099233
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111096550
2-[2-[cyclopropyl(methyl)amino]propyl]-1-(6-methylheptan-2-yl)guanidine
CID 111099072
1-cyclopropyl-2-[2-[cyclopropyl(ethyl)amino]ethyl]guanidine
CID 103640269
1-(6-methylheptan-2-yl)-2-(3-methylsulfanylpropyl)guanidine;hydroiodide
CID 111767978
1-(6-methylheptan-2-yl)-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034761
N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide;hydroiodide
CID 111094891
2-[(1-ethylpyrrolidin-3-yl)methyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111065519
N'-cyclopropyl-N'-ethyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
CID 62560903
1-[(2S)-6-methylheptan-2-yl]-2-(oxan-4-ylmethyl)guanidine
CID 99816266
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(4-methylphenyl)guanidine
CID 111096491
4-[cyclopropyl(ethyl)amino]-2-(methylamino)butanamide
CID 63029394

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide?
The IUPAC name of 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide (CID 111096484) is 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide is CCN(CC/N=C(\N)NC(C)CCCC(C)C)C1CC1.I.
What is the InChIKey of 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide?
The InChIKey is LODADOHEMXSBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4.HI/c1-5-20(15-9-10-15)12-11-18-16(17)19-14(4)8-6-7-13(2)3;/h13-15H,5-12H2,1-4H3,(H3,17,18,19);1H.
What are the key properties of 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide?
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide has a molecular weight of 410.39 g/mol, XLogP of 3.21, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide is sourced from PubChem (CID 111096484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).