1-cyclobutyl-2-(cycloheptylmethyl)guanidine

C13H25N3 — CID 122097653

IUPAC1-cyclobutyl-2-(cycloheptylmethyl)guanidine
SMILESN/C(=N\CC1CCCCCC1)NC1CCC1
InChIInChI=1S/C13H25N3/c14-13(16-12-8-5-9-12)15-10-11-6-3-1-2-4-7-11/h11-12H,1-10H2,(H3,14,15,16)
InChIKeyVATKERNNKMXKCJ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.41
Rot. Bonds3

About 1-cyclobutyl-2-(cycloheptylmethyl)guanidine

1-cyclobutyl-2-(cycloheptylmethyl)guanidine (PubChem CID 122097653) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-cyclobutyl-2-(cycloheptylmethyl)guanidine.

Molecular Properties

Compound Name1-cyclobutyl-2-(cycloheptylmethyl)guanidine
PubChem CID122097653
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-cyclobutyl-2-(cycloheptylmethyl)guanidine
SMILESN/C(=N\CC1CCCCCC1)NC1CCC1
InChIInChI=1S/C13H25N3/c14-13(16-12-8-5-9-12)15-10-11-6-3-1-2-4-7-11/h11-12H,1-10H2,(H3,14,15,16)
InChIKeyVATKERNNKMXKCJ-UHFFFAOYSA-N
XLogP2.41
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.41
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-cyclohexyl-2-[(4-ethylcyclohexyl)methyl]guanidine
CID 62363418
1-cyclohexyl-2-[(4-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110932852
1-cyclopropyl-2-[(3-hydroxycyclohexyl)methyl]guanidine
CID 103696907
2-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylguanidine
CID 119120109
1-amino-2-(cyclohexylmethyl)guanidine
CID 64867312
1-cyclobutyl-2-[(3,3-dimethylcyclohexyl)methyl]guanidine
CID 122098227
1-cyclopropyl-2-[(4-hydroxycyclohexyl)methyl]guanidine
CID 106136644
1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110912554
1-cyclohexyl-2-ethylguanidine
CID 18727697
1-cyclohexyl-2-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine
CID 111560078
1-cyclopentyl-2-[(1,1-dioxothiolan-3-yl)methyl]guanidine
CID 55063969
1-cyclohexyl-2-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine
CID 119147709

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(cycloheptylmethyl)guanidine?
The IUPAC name of 1-cyclobutyl-2-(cycloheptylmethyl)guanidine (CID 122097653) is 1-cyclobutyl-2-(cycloheptylmethyl)guanidine.
What is the SMILES notation for 1-cyclobutyl-2-(cycloheptylmethyl)guanidine?
The canonical SMILES for 1-cyclobutyl-2-(cycloheptylmethyl)guanidine is N/C(=N\CC1CCCCCC1)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-2-(cycloheptylmethyl)guanidine?
The InChIKey is VATKERNNKMXKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c14-13(16-12-8-5-9-12)15-10-11-6-3-1-2-4-7-11/h11-12H,1-10H2,(H3,14,15,16).
What are the key properties of 1-cyclobutyl-2-(cycloheptylmethyl)guanidine?
1-cyclobutyl-2-(cycloheptylmethyl)guanidine has a molecular weight of 223.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(cycloheptylmethyl)guanidine is sourced from PubChem (CID 122097653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).