1-butyl-3-[3-[cyclohexyl(methyl)amino]propyl]-1,2-dimethylguanidine;hydroiodide

C17H37IN4 — CID 111160377

IUPAC1-butyl-3-[3-[cyclohexyl(methyl)amino]propyl]-1,2-dimethylguanidine;hydroiodide
SMILESCCCCN(C)/C(=N\C)NCCCN(C)C1CCCCC1.I
InChIInChI=1S/C17H36N4.HI/c1-5-6-14-21(4)17(18-2)19-13-10-15-20(3)16-11-8-7-9-12-16;/h16H,5-15H2,1-4H3,(H,18,19);1H
InChIKeyKXUAWMQGVQIYQE-UHFFFAOYSA-N
MW424.42 g/mol
LogP3.57
Rot. Bonds8

About 1-butyl-3-[3-[cyclohexyl(methyl)amino]propyl]-1,2-dimethylguanidine;hydroiodide

1-butyl-3-[3-[cyclohexyl(methyl)amino]propyl]-1,2-dimethylguanidine;hydroiodide (PubChem CID 111160377) has the molecular formula C17H37IN4 and a molecular weight of 424.42 g/mol. Its IUPAC name is 1-butyl-3-[3-[cyclohexyl(methyl)amino]propyl]-1,2-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-butyl-3-[3-[cyclohexyl(methyl)amino]propyl]-1,2-dimethylguanidine;hydroiodide
PubChem CID111160377
Molecular FormulaC17H37IN4
Molecular Weight424.42 g/mol
Exact Mass424.21
IUPAC Name1-butyl-3-[3-[cyclohexyl(methyl)amino]propyl]-1,2-dimethylguanidine;hydroiodide
SMILESCCCCN(C)/C(=N\C)NCCCN(C)C1CCCCC1.I
InChIInChI=1S/C17H36N4.HI/c1-5-6-14-21(4)17(18-2)19-13-10-15-20(3)16-11-8-7-9-12-16;/h16H,5-15H2,1-4H3,(H,18,19);1H
InChIKeyKXUAWMQGVQIYQE-UHFFFAOYSA-N
XLogP3.57
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

1-[3-[cyclohexyl(methyl)amino]propyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111227628
3-butyl-1,1-dicyclohexyl-2-methylguanidine
CID 89443004
N-butyl-N-methylcyclohexanamine;hydrochloride
CID 174640226
N-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide
CID 111159219
1-butyl-2-[3-[cyclohexyl(methyl)amino]propyl]guanidine;hydroiodide
CID 111057333
1-butyl-1,2-dimethyl-3-[2-(oxolan-2-yl)ethyl]guanidine
CID 111160040
1-[3-[cyclohexyl(methyl)amino]propyl]-2-propylguanidine
CID 55063814
1-butyl-3-(5-methoxypentyl)-1,2-dimethylguanidine;hydroiodide
CID 111159574
1-butyl-1,2-dimethyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111160275
1-[3-[cyclohexyl(methyl)amino]propyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide
CID 111606650
1-[3-[cyclohexyl(methyl)amino]propyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine;hydroiodide
CID 110998060
N'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine
CID 61386666

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[3-[cyclohexyl(methyl)amino]propyl]-1,2-dimethylguanidine;hydroiodide?
The IUPAC name of 1-butyl-3-[3-[cyclohexyl(methyl)amino]propyl]-1,2-dimethylguanidine;hydroiodide (CID 111160377) is 1-butyl-3-[3-[cyclohexyl(methyl)amino]propyl]-1,2-dimethylguanidine;hydroiodide.
What is the SMILES notation for 1-butyl-3-[3-[cyclohexyl(methyl)amino]propyl]-1,2-dimethylguanidine;hydroiodide?
The canonical SMILES for 1-butyl-3-[3-[cyclohexyl(methyl)amino]propyl]-1,2-dimethylguanidine;hydroiodide is CCCCN(C)/C(=N\C)NCCCN(C)C1CCCCC1.I.
What is the InChIKey of 1-butyl-3-[3-[cyclohexyl(methyl)amino]propyl]-1,2-dimethylguanidine;hydroiodide?
The InChIKey is KXUAWMQGVQIYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4.HI/c1-5-6-14-21(4)17(18-2)19-13-10-15-20(3)16-11-8-7-9-12-16;/h16H,5-15H2,1-4H3,(H,18,19);1H.
What are the key properties of 1-butyl-3-[3-[cyclohexyl(methyl)amino]propyl]-1,2-dimethylguanidine;hydroiodide?
1-butyl-3-[3-[cyclohexyl(methyl)amino]propyl]-1,2-dimethylguanidine;hydroiodide has a molecular weight of 424.42 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[3-[cyclohexyl(methyl)amino]propyl]-1,2-dimethylguanidine;hydroiodide is sourced from PubChem (CID 111160377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).