1-(cyclobutylmethyl)-2-[2-(diethylamino)-4-methylpentyl]guanidine;hydroiodide

C16H35IN4 — CID 111042472

IUPAC1-(cyclobutylmethyl)-2-[2-(diethylamino)-4-methylpentyl]guanidine;hydroiodide
SMILESCCN(CC)C(C/N=C(\N)NCC1CCC1)CC(C)C.I
InChIInChI=1S/C16H34N4.HI/c1-5-20(6-2)15(10-13(3)4)12-19-16(17)18-11-14-8-7-9-14;/h13-15H,5-12H2,1-4H3,(H3,17,18,19);1H
InChIKeyWGWLZXRLWKTNKX-UHFFFAOYSA-N
MW410.39 g/mol
LogP3.07
Rot. Bonds9

About 1-(cyclobutylmethyl)-2-[2-(diethylamino)-4-methylpentyl]guanidine;hydroiodide

1-(cyclobutylmethyl)-2-[2-(diethylamino)-4-methylpentyl]guanidine;hydroiodide (PubChem CID 111042472) has the molecular formula C16H35IN4 and a molecular weight of 410.39 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-[2-(diethylamino)-4-methylpentyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-[2-(diethylamino)-4-methylpentyl]guanidine;hydroiodide
PubChem CID111042472
Molecular FormulaC16H35IN4
Molecular Weight410.39 g/mol
Exact Mass410.19
IUPAC Name1-(cyclobutylmethyl)-2-[2-(diethylamino)-4-methylpentyl]guanidine;hydroiodide
SMILESCCN(CC)C(C/N=C(\N)NCC1CCC1)CC(C)C.I
InChIInChI=1S/C16H34N4.HI/c1-5-20(6-2)15(10-13(3)4)12-19-16(17)18-11-14-8-7-9-14;/h13-15H,5-12H2,1-4H3,(H3,17,18,19);1H
InChIKeyWGWLZXRLWKTNKX-UHFFFAOYSA-N
XLogP3.07
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 53.07
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'}

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Related Compounds

1-butyl-2-[2-(diethylamino)-4-methylpentyl]guanidine
CID 111042443
1-(cyclobutylmethyl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide
CID 111056450
N'-[2-(diethylamino)-4-methylpentyl]piperidine-1-carboximidamide;hydroiodide
CID 111042486
1-[(1-methylpiperidin-3-yl)methyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 110912317
1-(cyclobutylmethyl)-2-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]guanidine
CID 111055057
2-[2-(4-chlorophenoxy)propyl]-1-(cyclobutylmethyl)guanidine;hydroiodide
CID 111820455
1-(cyclobutylmethyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine
CID 111029516
1-(cyclobutylmethyl)-2-(3-methyl-2-phenylbutyl)guanidine
CID 111069108
2-(2-methylpropyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine
CID 111077501
2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-ethylacetamide
CID 111032094
2-[2-(diethylamino)-4-methylpentyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)guanidine
CID 111042483
3-amino-N-[2-(diethylamino)-4-methylpentyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119842264

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-[2-(diethylamino)-4-methylpentyl]guanidine;hydroiodide?
The IUPAC name of 1-(cyclobutylmethyl)-2-[2-(diethylamino)-4-methylpentyl]guanidine;hydroiodide (CID 111042472) is 1-(cyclobutylmethyl)-2-[2-(diethylamino)-4-methylpentyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-[2-(diethylamino)-4-methylpentyl]guanidine;hydroiodide?
The canonical SMILES for 1-(cyclobutylmethyl)-2-[2-(diethylamino)-4-methylpentyl]guanidine;hydroiodide is CCN(CC)C(C/N=C(\N)NCC1CCC1)CC(C)C.I.
What is the InChIKey of 1-(cyclobutylmethyl)-2-[2-(diethylamino)-4-methylpentyl]guanidine;hydroiodide?
The InChIKey is WGWLZXRLWKTNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4.HI/c1-5-20(6-2)15(10-13(3)4)12-19-16(17)18-11-14-8-7-9-14;/h13-15H,5-12H2,1-4H3,(H3,17,18,19);1H.
What are the key properties of 1-(cyclobutylmethyl)-2-[2-(diethylamino)-4-methylpentyl]guanidine;hydroiodide?
1-(cyclobutylmethyl)-2-[2-(diethylamino)-4-methylpentyl]guanidine;hydroiodide has a molecular weight of 410.39 g/mol, XLogP of 3.07, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-[2-(diethylamino)-4-methylpentyl]guanidine;hydroiodide is sourced from PubChem (CID 111042472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).