1-(1-cyclopropylethyl)-1,2-dimethylguanidine

C8H17N3 — CID 62360610

IUPAC1-(1-cyclopropylethyl)-1,2-dimethylguanidine
SMILESC/N=C(\N)N(C)C(C)C1CC1
InChIInChI=1S/C8H17N3/c1-6(7-4-5-7)11(3)8(9)10-2/h6-7H,4-5H2,1-3H3,(H2,9,10)
InChIKeyDSAHNQRKJMJVNQ-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.66
Rot. Bonds2

About 1-(1-cyclopropylethyl)-1,2-dimethylguanidine

1-(1-cyclopropylethyl)-1,2-dimethylguanidine (PubChem CID 62360610) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-1,2-dimethylguanidine.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-1,2-dimethylguanidine
PubChem CID62360610
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name1-(1-cyclopropylethyl)-1,2-dimethylguanidine
SMILESC/N=C(\N)N(C)C(C)C1CC1
InChIInChI=1S/C8H17N3/c1-6(7-4-5-7)11(3)8(9)10-2/h6-7H,4-5H2,1-3H3,(H2,9,10)
InChIKeyDSAHNQRKJMJVNQ-UHFFFAOYSA-N
XLogP0.66
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.66
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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Related Compounds

1-Cyclopropyl-1-methyl-2-(2,2,3-trimethylbutyl)guanidine
CID 121581318
1-Cyclopropyl-2-[(3,3-difluorocyclobutyl)methyl]-1-methylguanidine
CID 121855818
1,2-Diethyl-1-(3-methylbutyl)guanidine
CID 21191512
1,2-Dimethyl-1-(3-methylbutyl)guanidine
CID 21191528
2-Tert-butyl-1-methyl-1-pentan-3-ylguanidine
CID 58320030
1,2-Dimethyl-1-pentan-3-ylguanidine
CID 62360799
2-Ethyl-1-methyl-1-pentan-3-ylguanidine
CID 62362319
1-Methyl-1-pentan-3-yl-2-propan-2-ylguanidine
CID 62362321
2-Tert-butyl-1-methyl-1-(3-methylbutyl)guanidine
CID 62362336
2-Tert-butyl-1-methyl-1-pentan-2-ylguanidine
CID 62362774
3-(Diaminomethylidene)-1-methyl-1-(3-methylbutan-2-yl)guanidine
CID 83031736
1,2-dimethyl-1-[(2R)-3-methylbutan-2-yl]guanidine
CID 132157834

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-1,2-dimethylguanidine?
The IUPAC name of 1-(1-cyclopropylethyl)-1,2-dimethylguanidine (CID 62360610) is 1-(1-cyclopropylethyl)-1,2-dimethylguanidine.
What is the SMILES notation for 1-(1-cyclopropylethyl)-1,2-dimethylguanidine?
The canonical SMILES for 1-(1-cyclopropylethyl)-1,2-dimethylguanidine is C/N=C(\N)N(C)C(C)C1CC1.
What is the InChIKey of 1-(1-cyclopropylethyl)-1,2-dimethylguanidine?
The InChIKey is DSAHNQRKJMJVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-6(7-4-5-7)11(3)8(9)10-2/h6-7H,4-5H2,1-3H3,(H2,9,10).
What are the key properties of 1-(1-cyclopropylethyl)-1,2-dimethylguanidine?
1-(1-cyclopropylethyl)-1,2-dimethylguanidine has a molecular weight of 155.24 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-1,2-dimethylguanidine is sourced from PubChem (CID 62360610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).