2-cyclopropyl-1-(cyclopropylmethyl)-1-ethylguanidine

C10H19N3 — CID 63955423

IUPAC2-cyclopropyl-1-(cyclopropylmethyl)-1-ethylguanidine
SMILESCCN(CC1CC1)/C(N)=N/C1CC1
InChIInChI=1S/C10H19N3/c1-2-13(7-8-3-4-8)10(11)12-9-5-6-9/h8-9H,2-7H2,1H3,(H2,11,12)
InChIKeyOFCVYKCCLNJRGD-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.20
Rot. Bonds4

About 2-cyclopropyl-1-(cyclopropylmethyl)-1-ethylguanidine

2-cyclopropyl-1-(cyclopropylmethyl)-1-ethylguanidine (PubChem CID 63955423) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-cyclopropyl-1-(cyclopropylmethyl)-1-ethylguanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-(cyclopropylmethyl)-1-ethylguanidine
PubChem CID63955423
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2-cyclopropyl-1-(cyclopropylmethyl)-1-ethylguanidine
SMILESCCN(CC1CC1)/C(N)=N/C1CC1
InChIInChI=1S/C10H19N3/c1-2-13(7-8-3-4-8)10(11)12-9-5-6-9/h8-9H,2-7H2,1H3,(H2,11,12)
InChIKeyOFCVYKCCLNJRGD-UHFFFAOYSA-N
XLogP1.20
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.20
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-(cyclopropylmethyl)-1-ethylguanidine?
The IUPAC name of 2-cyclopropyl-1-(cyclopropylmethyl)-1-ethylguanidine (CID 63955423) is 2-cyclopropyl-1-(cyclopropylmethyl)-1-ethylguanidine.
What is the SMILES notation for 2-cyclopropyl-1-(cyclopropylmethyl)-1-ethylguanidine?
The canonical SMILES for 2-cyclopropyl-1-(cyclopropylmethyl)-1-ethylguanidine is CCN(CC1CC1)/C(N)=N/C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(cyclopropylmethyl)-1-ethylguanidine?
The InChIKey is OFCVYKCCLNJRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-2-13(7-8-3-4-8)10(11)12-9-5-6-9/h8-9H,2-7H2,1H3,(H2,11,12).
What are the key properties of 2-cyclopropyl-1-(cyclopropylmethyl)-1-ethylguanidine?
2-cyclopropyl-1-(cyclopropylmethyl)-1-ethylguanidine has a molecular weight of 181.28 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(cyclopropylmethyl)-1-ethylguanidine is sourced from PubChem (CID 63955423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).