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

C12H23N3 — CID 103763188

IUPAC1-cyclopropyl-2-[(1-ethylcyclopentyl)methyl]guanidine
SMILESCCC1(C/N=C(\N)NC2CC2)CCCC1
InChIInChI=1S/C12H23N3/c1-2-12(7-3-4-8-12)9-14-11(13)15-10-5-6-10/h10H,2-9H2,1H3,(H3,13,14,15)
InChIKeyPBNJSLDOXXEBDU-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.02
Rot. Bonds4

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

1-cyclopropyl-2-[(1-ethylcyclopentyl)methyl]guanidine (PubChem CID 103763188) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(1-ethylcyclopentyl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[(1-ethylcyclopentyl)methyl]guanidine
PubChem CID103763188
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-cyclopropyl-2-[(1-ethylcyclopentyl)methyl]guanidine
SMILESCCC1(C/N=C(\N)NC2CC2)CCCC1
InChIInChI=1S/C12H23N3/c1-2-12(7-3-4-8-12)9-14-11(13)15-10-5-6-10/h10H,2-9H2,1H3,(H3,13,14,15)
InChIKeyPBNJSLDOXXEBDU-UHFFFAOYSA-N
XLogP2.02
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.02
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-[[1-(hydroxymethyl)cyclohexyl]methyl]guanidine
CID 112697611
1-cyclopropyl-2-[(1-methylsulfanylcyclopropyl)methyl]guanidine
CID 107265845
1-cyclopropyl-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]guanidine
CID 65123694
1-cyclopentyl-2-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]guanidine
CID 119151899
1-cyclopentyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine
CID 120973749
2-[1-[[[amino-(cycloheptylamino)methylidene]amino]methyl]cyclopropyl]acetamide
CID 122101737
1-cyclobutyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine
CID 122096093
2-[(1-ethylcyclobutyl)methyl]-1-(oxolan-2-ylmethyl)guanidine
CID 111969230
1-(3,4-dihydro-2H-chromen-4-yl)-2-[(1-ethylcyclobutyl)methyl]guanidine
CID 111969300
1-cyclohexyl-2-ethylguanidine
CID 18727697
1-cyclopropyl-2-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]guanidine
CID 111858286
ethyl 4-[[N'-[(1-benzylcyclopentyl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 110004826

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(1-ethylcyclopentyl)methyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-[(1-ethylcyclopentyl)methyl]guanidine (CID 103763188) is 1-cyclopropyl-2-[(1-ethylcyclopentyl)methyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[(1-ethylcyclopentyl)methyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-[(1-ethylcyclopentyl)methyl]guanidine is CCC1(C/N=C(\N)NC2CC2)CCCC1.
What is the InChIKey of 1-cyclopropyl-2-[(1-ethylcyclopentyl)methyl]guanidine?
The InChIKey is PBNJSLDOXXEBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-2-12(7-3-4-8-12)9-14-11(13)15-10-5-6-10/h10H,2-9H2,1H3,(H3,13,14,15).
What are the key properties of 1-cyclopropyl-2-[(1-ethylcyclopentyl)methyl]guanidine?
1-cyclopropyl-2-[(1-ethylcyclopentyl)methyl]guanidine has a molecular weight of 209.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(1-ethylcyclopentyl)methyl]guanidine is sourced from PubChem (CID 103763188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).