1-[(4-butylcyclohexyl)methyl]-2,3-dimethylguanidine

C14H29N3 — CID 110920688

IUPAC1-[(4-butylcyclohexyl)methyl]-2,3-dimethylguanidine
SMILESCCCCC1CCC(CN/C(=N/C)NC)CC1
InChIInChI=1S/C14H29N3/c1-4-5-6-12-7-9-13(10-8-12)11-17-14(15-2)16-3/h12-13H,4-11H2,1-3H3,(H2,15,16,17)
InChIKeyRGBKCTUDSHUCGY-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.78
Rot. Bonds5

About 1-[(4-butylcyclohexyl)methyl]-2,3-dimethylguanidine

1-[(4-butylcyclohexyl)methyl]-2,3-dimethylguanidine (PubChem CID 110920688) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-[(4-butylcyclohexyl)methyl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[(4-butylcyclohexyl)methyl]-2,3-dimethylguanidine
PubChem CID110920688
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-[(4-butylcyclohexyl)methyl]-2,3-dimethylguanidine
SMILESCCCCC1CCC(CN/C(=N/C)NC)CC1
InChIInChI=1S/C14H29N3/c1-4-5-6-12-7-9-13(10-8-12)11-17-14(15-2)16-3/h12-13H,4-11H2,1-3H3,(H2,15,16,17)
InChIKeyRGBKCTUDSHUCGY-UHFFFAOYSA-N
XLogP2.78
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(cyclopropylmethyl)-3-ethyl-2-methylguanidine
CID 131101788
1-(4-butylcyclohexyl)-N-methylmethanamine
CID 43163686
1-[(4-butylcyclohexyl)methyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylguanidine;hydroiodide
CID 109428534
N-[(4-butylcyclohexyl)methyl]ethanamine
CID 43163710
1-(3-cyclohexylpropyl)-2,3-dimethylguanidine;hydroiodide
CID 110919956
1-[(4-butylcyclohexyl)methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111954152
1-(cyclooctylmethyl)-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide
CID 111869131
1-(3-butoxypropyl)-2,3-dimethylguanidine
CID 110914191
1-(cyclopropylmethyl)-3-(3,3-dimethylbutyl)-2-methylguanidine
CID 111868538
1-[[4-[[(4-chlorophenyl)methylamino]methyl]cyclohexyl]methyl]-2,3-dimethylguanidine
CID 21334585
tert-butyl 4-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 110927242
1-(cyclopropylmethyl)-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide
CID 111869545

Frequently Asked Questions

What is the IUPAC name of 1-[(4-butylcyclohexyl)methyl]-2,3-dimethylguanidine?
The IUPAC name of 1-[(4-butylcyclohexyl)methyl]-2,3-dimethylguanidine (CID 110920688) is 1-[(4-butylcyclohexyl)methyl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[(4-butylcyclohexyl)methyl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[(4-butylcyclohexyl)methyl]-2,3-dimethylguanidine is CCCCC1CCC(CN/C(=N/C)NC)CC1.
What is the InChIKey of 1-[(4-butylcyclohexyl)methyl]-2,3-dimethylguanidine?
The InChIKey is RGBKCTUDSHUCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-4-5-6-12-7-9-13(10-8-12)11-17-14(15-2)16-3/h12-13H,4-11H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-[(4-butylcyclohexyl)methyl]-2,3-dimethylguanidine?
1-[(4-butylcyclohexyl)methyl]-2,3-dimethylguanidine has a molecular weight of 239.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-butylcyclohexyl)methyl]-2,3-dimethylguanidine is sourced from PubChem (CID 110920688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).