1-amino-3-[[(1R,2R)-2-ethylcyclopropyl]methyl]-2-methylguanidine

C8H18N4 — CID 130948883

IUPAC1-amino-3-[[(1R,2R)-2-ethylcyclopropyl]methyl]-2-methylguanidine
SMILESCC[C@@H]1C[C@H]1CN/C(=N/C)NN
InChIInChI=1S/C8H18N4/c1-3-6-4-7(6)5-11-8(10-2)12-9/h6-7H,3-5,9H2,1-2H3,(H2,10,11,12)/t6-,7+/m1/s1
InChIKeyAFOHASQTLLWHNB-RQJHMYQMSA-N
MW170.26 g/mol
LogP0.07
Rot. Bonds3

About 1-amino-3-[[(1R,2R)-2-ethylcyclopropyl]methyl]-2-methylguanidine

1-amino-3-[[(1R,2R)-2-ethylcyclopropyl]methyl]-2-methylguanidine (PubChem CID 130948883) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-amino-3-[[(1R,2R)-2-ethylcyclopropyl]methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-amino-3-[[(1R,2R)-2-ethylcyclopropyl]methyl]-2-methylguanidine
PubChem CID130948883
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name1-amino-3-[[(1R,2R)-2-ethylcyclopropyl]methyl]-2-methylguanidine
SMILESCC[C@@H]1C[C@H]1CN/C(=N/C)NN
InChIInChI=1S/C8H18N4/c1-3-6-4-7(6)5-11-8(10-2)12-9/h6-7H,3-5,9H2,1-2H3,(H2,10,11,12)/t6-,7+/m1/s1
InChIKeyAFOHASQTLLWHNB-RQJHMYQMSA-N
XLogP0.07
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.07
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-(2,2-dimethylbutyl)-2-methylguanidine
CID 103466912
1-amino-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 104882473
1-amino-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 104881960
1-amino-2-methyl-3-[2-(3-methylcyclohexyl)ethyl]guanidine
CID 104882276
1-(cyclopropylmethyl)-3-ethyl-2-methylguanidine
CID 131101788
1-amino-2-methyl-3-(propanoylamino)guanidine
CID 55280595
1-amino-3-(2-ethoxypropyl)-2-methylguanidine
CID 104882468
3-[(N-amino-N'-methylcarbamimidoyl)amino]-N-cyclopropylpropanamide
CID 104882342
1-amino-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 104882192
1-amino-3-cyclopropyl-2-methylguanidine;hydroiodide
CID 67070956
1-amino-2-methyl-3-(3-methylsulfanylpropyl)guanidine
CID 104882256
1-amino-3-(2-methoxypropyl)-2-methylguanidine
CID 102702160

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[[(1R,2R)-2-ethylcyclopropyl]methyl]-2-methylguanidine?
The IUPAC name of 1-amino-3-[[(1R,2R)-2-ethylcyclopropyl]methyl]-2-methylguanidine (CID 130948883) is 1-amino-3-[[(1R,2R)-2-ethylcyclopropyl]methyl]-2-methylguanidine.
What is the SMILES notation for 1-amino-3-[[(1R,2R)-2-ethylcyclopropyl]methyl]-2-methylguanidine?
The canonical SMILES for 1-amino-3-[[(1R,2R)-2-ethylcyclopropyl]methyl]-2-methylguanidine is CC[C@@H]1C[C@H]1CN/C(=N/C)NN.
What is the InChIKey of 1-amino-3-[[(1R,2R)-2-ethylcyclopropyl]methyl]-2-methylguanidine?
The InChIKey is AFOHASQTLLWHNB-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H18N4/c1-3-6-4-7(6)5-11-8(10-2)12-9/h6-7H,3-5,9H2,1-2H3,(H2,10,11,12)/t6-,7+/m1/s1.
What are the key properties of 1-amino-3-[[(1R,2R)-2-ethylcyclopropyl]methyl]-2-methylguanidine?
1-amino-3-[[(1R,2R)-2-ethylcyclopropyl]methyl]-2-methylguanidine has a molecular weight of 170.26 g/mol, XLogP of 0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[[(1R,2R)-2-ethylcyclopropyl]methyl]-2-methylguanidine is sourced from PubChem (CID 130948883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).