2-cyclopentyl-1-methyl-1-(2-methylbutyl)guanidine

C12H25N3 — CID 62363378

IUPAC2-cyclopentyl-1-methyl-1-(2-methylbutyl)guanidine
SMILESCCC(C)CN(C)/C(N)=N/C1CCCC1
InChIInChI=1S/C12H25N3/c1-4-10(2)9-15(3)12(13)14-11-7-5-6-8-11/h10-11H,4-9H2,1-3H3,(H2,13,14)
InChIKeyRLWJSWHMIFFFGW-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.22
Rot. Bonds4

About 2-cyclopentyl-1-methyl-1-(2-methylbutyl)guanidine

2-cyclopentyl-1-methyl-1-(2-methylbutyl)guanidine (PubChem CID 62363378) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-cyclopentyl-1-methyl-1-(2-methylbutyl)guanidine.

Molecular Properties

Compound Name2-cyclopentyl-1-methyl-1-(2-methylbutyl)guanidine
PubChem CID62363378
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name2-cyclopentyl-1-methyl-1-(2-methylbutyl)guanidine
SMILESCCC(C)CN(C)/C(N)=N/C1CCCC1
InChIInChI=1S/C12H25N3/c1-4-10(2)9-15(3)12(13)14-11-7-5-6-8-11/h10-11H,4-9H2,1-3H3,(H2,13,14)
InChIKeyRLWJSWHMIFFFGW-UHFFFAOYSA-N
XLogP2.22
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.22
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 2-cyclopentyl-1-methyl-1-(2-methylbutyl)guanidine?
The IUPAC name of 2-cyclopentyl-1-methyl-1-(2-methylbutyl)guanidine (CID 62363378) is 2-cyclopentyl-1-methyl-1-(2-methylbutyl)guanidine.
What is the SMILES notation for 2-cyclopentyl-1-methyl-1-(2-methylbutyl)guanidine?
The canonical SMILES for 2-cyclopentyl-1-methyl-1-(2-methylbutyl)guanidine is CCC(C)CN(C)/C(N)=N/C1CCCC1.
What is the InChIKey of 2-cyclopentyl-1-methyl-1-(2-methylbutyl)guanidine?
The InChIKey is RLWJSWHMIFFFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-4-10(2)9-15(3)12(13)14-11-7-5-6-8-11/h10-11H,4-9H2,1-3H3,(H2,13,14).
What are the key properties of 2-cyclopentyl-1-methyl-1-(2-methylbutyl)guanidine?
2-cyclopentyl-1-methyl-1-(2-methylbutyl)guanidine has a molecular weight of 211.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-methyl-1-(2-methylbutyl)guanidine is sourced from PubChem (CID 62363378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).