1-amino-3-cyclopropyl-2-[(1-methylcyclopentyl)methyl]guanidine

C11H22N4 — CID 104886020

IUPAC1-amino-3-cyclopropyl-2-[(1-methylcyclopentyl)methyl]guanidine
SMILESCC1(C/N=C(\NN)NC2CC2)CCCC1
InChIInChI=1S/C11H22N4/c1-11(6-2-3-7-11)8-13-10(15-12)14-9-4-5-9/h9H,2-8,12H2,1H3,(H2,13,14,15)
InChIKeyXORFJRRKTRAHSO-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.14
Rot. Bonds3

About 1-amino-3-cyclopropyl-2-[(1-methylcyclopentyl)methyl]guanidine

1-amino-3-cyclopropyl-2-[(1-methylcyclopentyl)methyl]guanidine (PubChem CID 104886020) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-amino-3-cyclopropyl-2-[(1-methylcyclopentyl)methyl]guanidine.

Molecular Properties

Compound Name1-amino-3-cyclopropyl-2-[(1-methylcyclopentyl)methyl]guanidine
PubChem CID104886020
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name1-amino-3-cyclopropyl-2-[(1-methylcyclopentyl)methyl]guanidine
SMILESCC1(C/N=C(\NN)NC2CC2)CCCC1
InChIInChI=1S/C11H22N4/c1-11(6-2-3-7-11)8-13-10(15-12)14-9-4-5-9/h9H,2-8,12H2,1H3,(H2,13,14,15)
InChIKeyXORFJRRKTRAHSO-UHFFFAOYSA-N
XLogP1.14
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-cyclohexyl-2-[(2-methylthiolan-2-yl)methyl]guanidine
CID 104887766
ethyl 4-[[N-ethyl-N'-[(1-methylcyclopentyl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111765903
1-(1,1-dioxothiolan-3-yl)-3-ethyl-2-[(1-methylcyclopentyl)methyl]guanidine;hydroiodide
CID 111761102
1-amino-2-(2-cyclobutylethyl)-3-cyclopropylguanidine
CID 104888658
1-amino-3-cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
CID 104888799
1-amino-3-cyclopentyl-2-(cyclopentylmethyl)guanidine
CID 104883783
1-amino-3-cyclopropyl-2-(2-cyclopropylethyl)guanidine
CID 104887133
2-[[(cyclopropylamino)-hydrazinylmethylidene]amino]-N-methylacetamide
CID 104883713
1-amino-3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]guanidine
CID 104885819
1-amino-2-(2-cyclohexylethyl)-3-cyclopropylguanidine
CID 104884183
1-amino-3-cyclopropyl-2-methylguanidine;hydroiodide
CID 67070956
1-amino-2-ethyl-3-(4-propylcyclohexyl)guanidine
CID 104885055

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclopropyl-2-[(1-methylcyclopentyl)methyl]guanidine?
The IUPAC name of 1-amino-3-cyclopropyl-2-[(1-methylcyclopentyl)methyl]guanidine (CID 104886020) is 1-amino-3-cyclopropyl-2-[(1-methylcyclopentyl)methyl]guanidine.
What is the SMILES notation for 1-amino-3-cyclopropyl-2-[(1-methylcyclopentyl)methyl]guanidine?
The canonical SMILES for 1-amino-3-cyclopropyl-2-[(1-methylcyclopentyl)methyl]guanidine is CC1(C/N=C(\NN)NC2CC2)CCCC1.
What is the InChIKey of 1-amino-3-cyclopropyl-2-[(1-methylcyclopentyl)methyl]guanidine?
The InChIKey is XORFJRRKTRAHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-11(6-2-3-7-11)8-13-10(15-12)14-9-4-5-9/h9H,2-8,12H2,1H3,(H2,13,14,15).
What are the key properties of 1-amino-3-cyclopropyl-2-[(1-methylcyclopentyl)methyl]guanidine?
1-amino-3-cyclopropyl-2-[(1-methylcyclopentyl)methyl]guanidine has a molecular weight of 210.32 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclopropyl-2-[(1-methylcyclopentyl)methyl]guanidine is sourced from PubChem (CID 104886020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).