2-[(1-cyclopropylcyclopropyl)methyl]-1-ethylguanidine

C10H19N3 — CID 103837179

IUPAC2-[(1-cyclopropylcyclopropyl)methyl]-1-ethylguanidine
SMILESCCN/C(N)=N/CC1(C2CC2)CC1
InChIInChI=1S/C10H19N3/c1-2-12-9(11)13-7-10(5-6-10)8-3-4-8/h8H,2-7H2,1H3,(H3,11,12,13)
InChIKeyRWRIQDYKVIWEAR-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.10
Rot. Bonds4

About 2-[(1-cyclopropylcyclopropyl)methyl]-1-ethylguanidine

2-[(1-cyclopropylcyclopropyl)methyl]-1-ethylguanidine (PubChem CID 103837179) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-[(1-cyclopropylcyclopropyl)methyl]-1-ethylguanidine.

Molecular Properties

Compound Name2-[(1-cyclopropylcyclopropyl)methyl]-1-ethylguanidine
PubChem CID103837179
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2-[(1-cyclopropylcyclopropyl)methyl]-1-ethylguanidine
SMILESCCN/C(N)=N/CC1(C2CC2)CC1
InChIInChI=1S/C10H19N3/c1-2-12-9(11)13-7-10(5-6-10)8-3-4-8/h8H,2-7H2,1H3,(H3,11,12,13)
InChIKeyRWRIQDYKVIWEAR-UHFFFAOYSA-N
XLogP1.10
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.10
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

2-[(1-cyclopropylcyclopropyl)methyl]-1-propylguanidine
CID 103837178
N'-[(1-cyclopropylcyclopropyl)methyl]-N-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109379367
2-[(1-cyclopropylcyclobutyl)methyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109474695
2-(aminomethyl)-1-ethylguanidine
CID 123525556
N'-[(1-cyclopropylcyclopropyl)methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447993
3-[[amino(ethylamino)methylidene]amino]-N-cyclopropylpropanamide
CID 79401114
1-ethyl-2-(ethylsulfanylmethyl)guanidine
CID 163421224
2-(2-chloroprop-2-enyl)-1-ethylguanidine
CID 115672456
1-cyclopropyl-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]guanidine
CID 65123694
2-[(1-propan-2-ylcyclopropyl)methyl]-1-propylguanidine
CID 103742062
1-(cyclobutylmethyl)-2-[(1-methoxycyclobutyl)methyl]guanidine;hydroiodide
CID 110017961
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine
CID 111970324

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropylcyclopropyl)methyl]-1-ethylguanidine?
The IUPAC name of 2-[(1-cyclopropylcyclopropyl)methyl]-1-ethylguanidine (CID 103837179) is 2-[(1-cyclopropylcyclopropyl)methyl]-1-ethylguanidine.
What is the SMILES notation for 2-[(1-cyclopropylcyclopropyl)methyl]-1-ethylguanidine?
The canonical SMILES for 2-[(1-cyclopropylcyclopropyl)methyl]-1-ethylguanidine is CCN/C(N)=N/CC1(C2CC2)CC1.
What is the InChIKey of 2-[(1-cyclopropylcyclopropyl)methyl]-1-ethylguanidine?
The InChIKey is RWRIQDYKVIWEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-2-12-9(11)13-7-10(5-6-10)8-3-4-8/h8H,2-7H2,1H3,(H3,11,12,13).
What are the key properties of 2-[(1-cyclopropylcyclopropyl)methyl]-1-ethylguanidine?
2-[(1-cyclopropylcyclopropyl)methyl]-1-ethylguanidine has a molecular weight of 181.28 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropylcyclopropyl)methyl]-1-ethylguanidine is sourced from PubChem (CID 103837179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).