1-tert-butyl-2-(3-cyclohexylpropyl)guanidine

C14H29N3 — CID 111062806

IUPAC1-tert-butyl-2-(3-cyclohexylpropyl)guanidine
SMILESCC(C)(C)N/C(N)=N/CCCC1CCCCC1
InChIInChI=1S/C14H29N3/c1-14(2,3)17-13(15)16-11-7-10-12-8-5-4-6-9-12/h12H,4-11H2,1-3H3,(H3,15,16,17)
InChIKeyHKROILSAXHWOKM-UHFFFAOYSA-N
MW239.41 g/mol
LogP3.05
Rot. Bonds4

About 1-tert-butyl-2-(3-cyclohexylpropyl)guanidine

1-tert-butyl-2-(3-cyclohexylpropyl)guanidine (PubChem CID 111062806) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-tert-butyl-2-(3-cyclohexylpropyl)guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-(3-cyclohexylpropyl)guanidine
PubChem CID111062806
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-tert-butyl-2-(3-cyclohexylpropyl)guanidine
SMILESCC(C)(C)N/C(N)=N/CCCC1CCCCC1
InChIInChI=1S/C14H29N3/c1-14(2,3)17-13(15)16-11-7-10-12-8-5-4-6-9-12/h12H,4-11H2,1-3H3,(H3,15,16,17)
InChIKeyHKROILSAXHWOKM-UHFFFAOYSA-N
XLogP3.05
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
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-tert-butyl-2-(2-cyclopentylethyl)guanidine
CID 62363522
1-tert-butyl-2-(2-cycloheptyloxyethyl)guanidine
CID 111812597
2-(3-cyclopentylpropyl)-1-(3-methylbutyl)guanidine
CID 111062741
1-(3-cyclohexylpropyl)-2-propylguanidine
CID 111062802
1-tert-butyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111060069
1-tert-butyl-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide
CID 110018771
2-(3-cyclopentylpropyl)-1-(4-methoxyphenyl)guanidine
CID 111062739
2-(3-cyclohexylpropyl)-1,1-diethylguanidine
CID 111062808
2-(3-cyclopentylpropyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111062793
2-(3-cyclopentylpropyl)-1-(3-methylphenyl)guanidine;hydroiodide
CID 111062736
1-tert-butyl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
CID 111056754
2-(3-cyclohexylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111062815

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(3-cyclohexylpropyl)guanidine?
The IUPAC name of 1-tert-butyl-2-(3-cyclohexylpropyl)guanidine (CID 111062806) is 1-tert-butyl-2-(3-cyclohexylpropyl)guanidine.
What is the SMILES notation for 1-tert-butyl-2-(3-cyclohexylpropyl)guanidine?
The canonical SMILES for 1-tert-butyl-2-(3-cyclohexylpropyl)guanidine is CC(C)(C)N/C(N)=N/CCCC1CCCCC1.
What is the InChIKey of 1-tert-butyl-2-(3-cyclohexylpropyl)guanidine?
The InChIKey is HKROILSAXHWOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-14(2,3)17-13(15)16-11-7-10-12-8-5-4-6-9-12/h12H,4-11H2,1-3H3,(H3,15,16,17).
What are the key properties of 1-tert-butyl-2-(3-cyclohexylpropyl)guanidine?
1-tert-butyl-2-(3-cyclohexylpropyl)guanidine has a molecular weight of 239.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(3-cyclohexylpropyl)guanidine is sourced from PubChem (CID 111062806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).