2-[2-[cyclopropyl(methyl)amino]ethyl]-1-propan-2-ylguanidine

C10H22N4 — CID 62980292

IUPAC2-[2-[cyclopropyl(methyl)amino]ethyl]-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/CCN(C)C1CC1
InChIInChI=1S/C10H22N4/c1-8(2)13-10(11)12-6-7-14(3)9-4-5-9/h8-9H,4-7H2,1-3H3,(H3,11,12,13)
InChIKeyFSQBMONKWXYAGJ-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.39
Rot. Bonds5

About 2-[2-[cyclopropyl(methyl)amino]ethyl]-1-propan-2-ylguanidine

2-[2-[cyclopropyl(methyl)amino]ethyl]-1-propan-2-ylguanidine (PubChem CID 62980292) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(methyl)amino]ethyl]-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-[2-[cyclopropyl(methyl)amino]ethyl]-1-propan-2-ylguanidine
PubChem CID62980292
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name2-[2-[cyclopropyl(methyl)amino]ethyl]-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/CCN(C)C1CC1
InChIInChI=1S/C10H22N4/c1-8(2)13-10(11)12-6-7-14(3)9-4-5-9/h8-9H,4-7H2,1-3H3,(H3,11,12,13)
InChIKeyFSQBMONKWXYAGJ-UHFFFAOYSA-N
XLogP0.39
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[2-[cyclopropyl(methyl)amino]ethyl]-1-propan-2-ylguanidine?
The IUPAC name of 2-[2-[cyclopropyl(methyl)amino]ethyl]-1-propan-2-ylguanidine (CID 62980292) is 2-[2-[cyclopropyl(methyl)amino]ethyl]-1-propan-2-ylguanidine.
What is the SMILES notation for 2-[2-[cyclopropyl(methyl)amino]ethyl]-1-propan-2-ylguanidine?
The canonical SMILES for 2-[2-[cyclopropyl(methyl)amino]ethyl]-1-propan-2-ylguanidine is CC(C)N/C(N)=N/CCN(C)C1CC1.
What is the InChIKey of 2-[2-[cyclopropyl(methyl)amino]ethyl]-1-propan-2-ylguanidine?
The InChIKey is FSQBMONKWXYAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4/c1-8(2)13-10(11)12-6-7-14(3)9-4-5-9/h8-9H,4-7H2,1-3H3,(H3,11,12,13).
What are the key properties of 2-[2-[cyclopropyl(methyl)amino]ethyl]-1-propan-2-ylguanidine?
2-[2-[cyclopropyl(methyl)amino]ethyl]-1-propan-2-ylguanidine has a molecular weight of 198.31 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(methyl)amino]ethyl]-1-propan-2-ylguanidine is sourced from PubChem (CID 62980292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).