1-(cyclobutylmethyl)-1-methyl-2-propylguanidine

C10H21N3 — CID 62861030

IUPAC1-(cyclobutylmethyl)-1-methyl-2-propylguanidine
SMILESCCC/N=C(\N)N(C)CC1CCC1
InChIInChI=1S/C10H21N3/c1-3-7-12-10(11)13(2)8-9-5-4-6-9/h9H,3-8H2,1-2H3,(H2,11,12)
InChIKeyVTIFAAXSPGWCSN-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.44
Rot. Bonds4

About 1-(cyclobutylmethyl)-1-methyl-2-propylguanidine

1-(cyclobutylmethyl)-1-methyl-2-propylguanidine (PubChem CID 62861030) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-1-methyl-2-propylguanidine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-1-methyl-2-propylguanidine
PubChem CID62861030
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name1-(cyclobutylmethyl)-1-methyl-2-propylguanidine
SMILESCCC/N=C(\N)N(C)CC1CCC1
InChIInChI=1S/C10H21N3/c1-3-7-12-10(11)13(2)8-9-5-4-6-9/h9H,3-8H2,1-2H3,(H2,11,12)
InChIKeyVTIFAAXSPGWCSN-UHFFFAOYSA-N
XLogP1.44
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-1-methyl-2-propylguanidine?
The IUPAC name of 1-(cyclobutylmethyl)-1-methyl-2-propylguanidine (CID 62861030) is 1-(cyclobutylmethyl)-1-methyl-2-propylguanidine.
What is the SMILES notation for 1-(cyclobutylmethyl)-1-methyl-2-propylguanidine?
The canonical SMILES for 1-(cyclobutylmethyl)-1-methyl-2-propylguanidine is CCC/N=C(\N)N(C)CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-1-methyl-2-propylguanidine?
The InChIKey is VTIFAAXSPGWCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-3-7-12-10(11)13(2)8-9-5-4-6-9/h9H,3-8H2,1-2H3,(H2,11,12).
What are the key properties of 1-(cyclobutylmethyl)-1-methyl-2-propylguanidine?
1-(cyclobutylmethyl)-1-methyl-2-propylguanidine has a molecular weight of 183.30 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-1-methyl-2-propylguanidine is sourced from PubChem (CID 62861030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).