2-cyclopropyl-1-methyl-1-propan-2-ylguanidine

C8H17N3 — CID 62358654

IUPAC2-cyclopropyl-1-methyl-1-propan-2-ylguanidine
SMILESCC(C)N(C)/C(N)=N/C1CC1
InChIInChI=1S/C8H17N3/c1-6(2)11(3)8(9)10-7-4-5-7/h6-7H,4-5H2,1-3H3,(H2,9,10)
InChIKeyDEINMOPGKJXHRN-UHFFFAOYSA-N
MW155.25 g/mol
LogP0.80
Rot. Bonds2

About 2-cyclopropyl-1-methyl-1-propan-2-ylguanidine

2-cyclopropyl-1-methyl-1-propan-2-ylguanidine (PubChem CID 62358654) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is 2-cyclopropyl-1-methyl-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-methyl-1-propan-2-ylguanidine
PubChem CID62358654
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name2-cyclopropyl-1-methyl-1-propan-2-ylguanidine
SMILESCC(C)N(C)/C(N)=N/C1CC1
InChIInChI=1S/C8H17N3/c1-6(2)11(3)8(9)10-7-4-5-7/h6-7H,4-5H2,1-3H3,(H2,9,10)
InChIKeyDEINMOPGKJXHRN-UHFFFAOYSA-N
XLogP0.80
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.80
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-methyl-1-propan-2-ylguanidine?
The IUPAC name of 2-cyclopropyl-1-methyl-1-propan-2-ylguanidine (CID 62358654) is 2-cyclopropyl-1-methyl-1-propan-2-ylguanidine.
What is the SMILES notation for 2-cyclopropyl-1-methyl-1-propan-2-ylguanidine?
The canonical SMILES for 2-cyclopropyl-1-methyl-1-propan-2-ylguanidine is CC(C)N(C)/C(N)=N/C1CC1.
What is the InChIKey of 2-cyclopropyl-1-methyl-1-propan-2-ylguanidine?
The InChIKey is DEINMOPGKJXHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-6(2)11(3)8(9)10-7-4-5-7/h6-7H,4-5H2,1-3H3,(H2,9,10).
What are the key properties of 2-cyclopropyl-1-methyl-1-propan-2-ylguanidine?
2-cyclopropyl-1-methyl-1-propan-2-ylguanidine has a molecular weight of 155.25 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-methyl-1-propan-2-ylguanidine is sourced from PubChem (CID 62358654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).