1-[2-[cyclohexyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide

C15H33IN4 — CID 111057263

IUPAC1-[2-[cyclohexyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide
SMILESCC(C)CC/N=C(\N)NCCN(C)C1CCCCC1.I
InChIInChI=1S/C15H32N4.HI/c1-13(2)9-10-17-15(16)18-11-12-19(3)14-7-5-4-6-8-14;/h13-14H,4-12H2,1-3H3,(H3,16,17,18);1H
InChIKeyQQTBTPQIRKODQP-UHFFFAOYSA-N
MW396.36 g/mol
LogP2.82
Rot. Bonds7

About 1-[2-[cyclohexyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide

1-[2-[cyclohexyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide (PubChem CID 111057263) has the molecular formula C15H33IN4 and a molecular weight of 396.36 g/mol. Its IUPAC name is 1-[2-[cyclohexyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-[cyclohexyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide
PubChem CID111057263
Molecular FormulaC15H33IN4
Molecular Weight396.36 g/mol
Exact Mass396.17
IUPAC Name1-[2-[cyclohexyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide
SMILESCC(C)CC/N=C(\N)NCCN(C)C1CCCCC1.I
InChIInChI=1S/C15H32N4.HI/c1-13(2)9-10-17-15(16)18-11-12-19(3)14-7-5-4-6-8-14;/h13-14H,4-12H2,1-3H3,(H3,16,17,18);1H
InChIKeyQQTBTPQIRKODQP-UHFFFAOYSA-N
XLogP2.82
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 52.82
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-[2-[cyclopentyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 110936978
1-[2-[cyclopropyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine
CID 62980116
1-butyl-2-[3-[cyclohexyl(methyl)amino]propyl]guanidine;hydroiodide
CID 111057333
1-[3-[cyclohexyl(methyl)amino]propyl]-2-propylguanidine
CID 55063814
1-[2-[cyclopentyl(methyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111804104
2-cyclohexyl-N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]acetamide
CID 111095546
2-(3-cyclopentylpropyl)-1-(3-methylbutyl)guanidine
CID 111062741
N-[2-[cycloheptyl(methyl)amino]ethyl]-2-methylpropanamide
CID 59205256
N'-cyclopentyl-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
CID 62574178
2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111057297
2-(3-cyclopropylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide
CID 111816691
2-(3-methylbutyl)-1-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
CID 111056738

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclohexyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-[cyclohexyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide (CID 111057263) is 1-[2-[cyclohexyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-[cyclohexyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-[cyclohexyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide is CC(C)CC/N=C(\N)NCCN(C)C1CCCCC1.I.
What is the InChIKey of 1-[2-[cyclohexyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide?
The InChIKey is QQTBTPQIRKODQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4.HI/c1-13(2)9-10-17-15(16)18-11-12-19(3)14-7-5-4-6-8-14;/h13-14H,4-12H2,1-3H3,(H3,16,17,18);1H.
What are the key properties of 1-[2-[cyclohexyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide?
1-[2-[cyclohexyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide has a molecular weight of 396.36 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclohexyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide is sourced from PubChem (CID 111057263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).