1,2-dimethyl-3-(1-propan-2-ylcyclopropyl)guanidine

C9H19N3 — CID 130979585

IUPAC1,2-dimethyl-3-(1-propan-2-ylcyclopropyl)guanidine
SMILESC/N=C(\NC)NC1(C(C)C)CC1
InChIInChI=1S/C9H19N3/c1-7(2)9(5-6-9)12-8(10-3)11-4/h7H,5-6H2,1-4H3,(H2,10,11,12)
InChIKeyIXQDSFHMVGGESE-UHFFFAOYSA-N
MW169.27 g/mol
LogP0.97
Rot. Bonds2

About 1,2-dimethyl-3-(1-propan-2-ylcyclopropyl)guanidine

1,2-dimethyl-3-(1-propan-2-ylcyclopropyl)guanidine (PubChem CID 130979585) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 1,2-dimethyl-3-(1-propan-2-ylcyclopropyl)guanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-(1-propan-2-ylcyclopropyl)guanidine
PubChem CID130979585
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name1,2-dimethyl-3-(1-propan-2-ylcyclopropyl)guanidine
SMILESC/N=C(\NC)NC1(C(C)C)CC1
InChIInChI=1S/C9H19N3/c1-7(2)9(5-6-9)12-8(10-3)11-4/h7H,5-6H2,1-4H3,(H2,10,11,12)
InChIKeyIXQDSFHMVGGESE-UHFFFAOYSA-N
XLogP0.97
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.97
H-Bond Donors ≤ 52
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

2,2,2-trifluoro-N-(1-propan-2-ylcyclopropyl)acetamide
CID 58664910
1,2-dimethyl-3-(2-methylpropyl)guanidine
CID 130768145
2-methyl-1-[(1-methylcyclopentyl)methyl]-3-propan-2-ylguanidine
CID 111760433
1-[(1S)-1-cyclopentylethyl]-2,3-dimethylguanidine
CID 131096617
tert-butyl N-(1-propan-2-ylcyclopropyl)carbamate
CID 20811777
ethane;N-(1-propan-2-ylcyclobutyl)acetamide
CID 153377340
N-methyl-1-propan-2-ylcyclopentan-1-amine
CID 89010863
1-amino-2,3-dimethylguanidine;hydrochloride
CID 14852961
2-methyl-1,3-di(propan-2-yl)guanidine
CID 21364757
1,2-dimethyl-3-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 110927044
1-(4-cyclohexylbutan-2-yl)-2,3-dimethylguanidine;hydroiodide
CID 109482303
1-(2-hydroxyethyl)-2,3-dimethylguanidine
CID 22977239

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(1-propan-2-ylcyclopropyl)guanidine?
The IUPAC name of 1,2-dimethyl-3-(1-propan-2-ylcyclopropyl)guanidine (CID 130979585) is 1,2-dimethyl-3-(1-propan-2-ylcyclopropyl)guanidine.
What is the SMILES notation for 1,2-dimethyl-3-(1-propan-2-ylcyclopropyl)guanidine?
The canonical SMILES for 1,2-dimethyl-3-(1-propan-2-ylcyclopropyl)guanidine is C/N=C(\NC)NC1(C(C)C)CC1.
What is the InChIKey of 1,2-dimethyl-3-(1-propan-2-ylcyclopropyl)guanidine?
The InChIKey is IXQDSFHMVGGESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-7(2)9(5-6-9)12-8(10-3)11-4/h7H,5-6H2,1-4H3,(H2,10,11,12).
What are the key properties of 1,2-dimethyl-3-(1-propan-2-ylcyclopropyl)guanidine?
1,2-dimethyl-3-(1-propan-2-ylcyclopropyl)guanidine has a molecular weight of 169.27 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(1-propan-2-ylcyclopropyl)guanidine is sourced from PubChem (CID 130979585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).