1-cyclopropyl-1-methyl-2-[(1-methylcyclopentyl)methyl]guanidine

C12H23N3 — CID 110031175

IUPAC1-cyclopropyl-1-methyl-2-[(1-methylcyclopentyl)methyl]guanidine
SMILESCN(/C(N)=N/CC1(C)CCCC1)C1CC1
InChIInChI=1S/C12H23N3/c1-12(7-3-4-8-12)9-14-11(13)15(2)10-5-6-10/h10H,3-9H2,1-2H3,(H2,13,14)
InChIKeyTXQZJVYTKKKLPZ-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.98
Rot. Bonds3

About 1-cyclopropyl-1-methyl-2-[(1-methylcyclopentyl)methyl]guanidine

1-cyclopropyl-1-methyl-2-[(1-methylcyclopentyl)methyl]guanidine (PubChem CID 110031175) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-[(1-methylcyclopentyl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-[(1-methylcyclopentyl)methyl]guanidine
PubChem CID110031175
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-cyclopropyl-1-methyl-2-[(1-methylcyclopentyl)methyl]guanidine
SMILESCN(/C(N)=N/CC1(C)CCCC1)C1CC1
InChIInChI=1S/C12H23N3/c1-12(7-3-4-8-12)9-14-11(13)15(2)10-5-6-10/h10H,3-9H2,1-2H3,(H2,13,14)
InChIKeyTXQZJVYTKKKLPZ-UHFFFAOYSA-N
XLogP1.98
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.98
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-cyclopropyl-1-methyl-2-[(1-methylcyclopentyl)methyl]guanidine?
The IUPAC name of 1-cyclopropyl-1-methyl-2-[(1-methylcyclopentyl)methyl]guanidine (CID 110031175) is 1-cyclopropyl-1-methyl-2-[(1-methylcyclopentyl)methyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-[(1-methylcyclopentyl)methyl]guanidine?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-[(1-methylcyclopentyl)methyl]guanidine is CN(/C(N)=N/CC1(C)CCCC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-[(1-methylcyclopentyl)methyl]guanidine?
The InChIKey is TXQZJVYTKKKLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-12(7-3-4-8-12)9-14-11(13)15(2)10-5-6-10/h10H,3-9H2,1-2H3,(H2,13,14).
What are the key properties of 1-cyclopropyl-1-methyl-2-[(1-methylcyclopentyl)methyl]guanidine?
1-cyclopropyl-1-methyl-2-[(1-methylcyclopentyl)methyl]guanidine has a molecular weight of 209.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-2-[(1-methylcyclopentyl)methyl]guanidine is sourced from PubChem (CID 110031175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).