2-cyclopropyl-1-ethyl-1-methylguanidine

C7H15N3 — CID 62359008

IUPAC2-cyclopropyl-1-ethyl-1-methylguanidine
SMILESCCN(C)/C(N)=N/C1CC1
InChIInChI=1S/C7H15N3/c1-3-10(2)7(8)9-6-4-5-6/h6H,3-5H2,1-2H3,(H2,8,9)
InChIKeyDIDQRVQHMRBINW-UHFFFAOYSA-N
MW141.22 g/mol
LogP0.42
Rot. Bonds2

About 2-cyclopropyl-1-ethyl-1-methylguanidine

2-cyclopropyl-1-ethyl-1-methylguanidine (PubChem CID 62359008) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 2-cyclopropyl-1-ethyl-1-methylguanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-ethyl-1-methylguanidine
PubChem CID62359008
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name2-cyclopropyl-1-ethyl-1-methylguanidine
SMILESCCN(C)/C(N)=N/C1CC1
InChIInChI=1S/C7H15N3/c1-3-10(2)7(8)9-6-4-5-6/h6H,3-5H2,1-2H3,(H2,8,9)
InChIKeyDIDQRVQHMRBINW-UHFFFAOYSA-N
XLogP0.42
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.42
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 2-cyclopropyl-1-ethyl-1-methylguanidine?
The IUPAC name of 2-cyclopropyl-1-ethyl-1-methylguanidine (CID 62359008) is 2-cyclopropyl-1-ethyl-1-methylguanidine.
What is the SMILES notation for 2-cyclopropyl-1-ethyl-1-methylguanidine?
The canonical SMILES for 2-cyclopropyl-1-ethyl-1-methylguanidine is CCN(C)/C(N)=N/C1CC1.
What is the InChIKey of 2-cyclopropyl-1-ethyl-1-methylguanidine?
The InChIKey is DIDQRVQHMRBINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-3-10(2)7(8)9-6-4-5-6/h6H,3-5H2,1-2H3,(H2,8,9).
What are the key properties of 2-cyclopropyl-1-ethyl-1-methylguanidine?
2-cyclopropyl-1-ethyl-1-methylguanidine has a molecular weight of 141.22 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-ethyl-1-methylguanidine is sourced from PubChem (CID 62359008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).