2-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine

C11H23N3 — CID 62362582

IUPAC2-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine
SMILESCC(N(C)/C(N)=N/C1CC1)C(C)(C)C
InChIInChI=1S/C11H23N3/c1-8(11(2,3)4)14(5)10(12)13-9-6-7-9/h8-9H,6-7H2,1-5H3,(H2,12,13)
InChIKeyABAXVYDKTQAHPG-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.83
Rot. Bonds2

About 2-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine

2-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine (PubChem CID 62362582) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine
PubChem CID62362582
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name2-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine
SMILESCC(N(C)/C(N)=N/C1CC1)C(C)(C)C
InChIInChI=1S/C11H23N3/c1-8(11(2,3)4)14(5)10(12)13-9-6-7-9/h8-9H,6-7H2,1-5H3,(H2,12,13)
InChIKeyABAXVYDKTQAHPG-UHFFFAOYSA-N
XLogP1.83
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.83
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-(3,3-dimethylbutan-2-yl)-1-methylguanidine?
The IUPAC name of 2-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine (CID 62362582) is 2-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine.
What is the SMILES notation for 2-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine?
The canonical SMILES for 2-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine is CC(N(C)/C(N)=N/C1CC1)C(C)(C)C.
What is the InChIKey of 2-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine?
The InChIKey is ABAXVYDKTQAHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-8(11(2,3)4)14(5)10(12)13-9-6-7-9/h8-9H,6-7H2,1-5H3,(H2,12,13).
What are the key properties of 2-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine?
2-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine has a molecular weight of 197.33 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine is sourced from PubChem (CID 62362582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).