3-butyl-1,1-dicyclohexyl-2-methylguanidine

C18H35N3 — CID 89443004

IUPAC3-butyl-1,1-dicyclohexyl-2-methylguanidine
SMILESCCCCN/C(=N\C)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H35N3/c1-3-4-15-20-18(19-2)21(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h16-17H,3-15H2,1-2H3,(H,19,20)
InChIKeyKFSSZKAOYLUCMQ-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.33
Rot. Bonds5

About 3-butyl-1,1-dicyclohexyl-2-methylguanidine

3-butyl-1,1-dicyclohexyl-2-methylguanidine (PubChem CID 89443004) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 3-butyl-1,1-dicyclohexyl-2-methylguanidine.

Molecular Properties

Compound Name3-butyl-1,1-dicyclohexyl-2-methylguanidine
PubChem CID89443004
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name3-butyl-1,1-dicyclohexyl-2-methylguanidine
SMILESCCCCN/C(=N\C)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H35N3/c1-3-4-15-20-18(19-2)21(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h16-17H,3-15H2,1-2H3,(H,19,20)
InChIKeyKFSSZKAOYLUCMQ-UHFFFAOYSA-N
XLogP4.33
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.33
H-Bond Donors ≤ 51
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'}

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Related Compounds

1-butyl-3-[3-[cyclohexyl(methyl)amino]propyl]-1,2-dimethylguanidine;hydroiodide
CID 111160377
3-butyl-1,1-dicyclohexylthiourea
CID 5219078
1-butyl-3-(2-cyclohexylethyl)-2-methylguanidine
CID 111151166
3-butyl-1-cyclohexyl-1-methylthiourea
CID 43835938
1-[3-[cyclohexyl(methyl)amino]propyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111227628
1-cyclohexyl-1-cyclopropyl-3-propylurea
CID 110874883
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
2-[2-(dicyclohexylamino)-2-oxoethoxy]-N-octacosylacetamide
CID 162714855
N-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide
CID 111159219
3-(3-butoxypropyl)-1,1,2-trimethylguanidine;hydroiodide
CID 111239932
1-(2-amino-2-hydroxyiminoethyl)-3-butyl-1-cyclopentylurea
CID 77044727

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1,1-dicyclohexyl-2-methylguanidine?
The IUPAC name of 3-butyl-1,1-dicyclohexyl-2-methylguanidine (CID 89443004) is 3-butyl-1,1-dicyclohexyl-2-methylguanidine.
What is the SMILES notation for 3-butyl-1,1-dicyclohexyl-2-methylguanidine?
The canonical SMILES for 3-butyl-1,1-dicyclohexyl-2-methylguanidine is CCCCN/C(=N\C)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 3-butyl-1,1-dicyclohexyl-2-methylguanidine?
The InChIKey is KFSSZKAOYLUCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-3-4-15-20-18(19-2)21(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h16-17H,3-15H2,1-2H3,(H,19,20).
What are the key properties of 3-butyl-1,1-dicyclohexyl-2-methylguanidine?
3-butyl-1,1-dicyclohexyl-2-methylguanidine has a molecular weight of 293.50 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1,1-dicyclohexyl-2-methylguanidine is sourced from PubChem (CID 89443004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).