2-(1-methylazetidin-3-yl)-1-propan-2-ylguanidine

C8H18N4 — CID 130637018

IUPAC2-(1-methylazetidin-3-yl)-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/C1CN(C)C1
InChIInChI=1S/C8H18N4/c1-6(2)10-8(9)11-7-4-12(3)5-7/h6-7H,4-5H2,1-3H3,(H3,9,10,11)
InChIKeyXYOFGHALAGQBEO-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.39
Rot. Bonds2

About 2-(1-methylazetidin-3-yl)-1-propan-2-ylguanidine

2-(1-methylazetidin-3-yl)-1-propan-2-ylguanidine (PubChem CID 130637018) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-(1-methylazetidin-3-yl)-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-(1-methylazetidin-3-yl)-1-propan-2-ylguanidine
PubChem CID130637018
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name2-(1-methylazetidin-3-yl)-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/C1CN(C)C1
InChIInChI=1S/C8H18N4/c1-6(2)10-8(9)11-7-4-12(3)5-7/h6-7H,4-5H2,1-3H3,(H3,9,10,11)
InChIKeyXYOFGHALAGQBEO-UHFFFAOYSA-N
XLogP-0.39
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.39
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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Related Compounds

2-(4-hydroxycyclohexyl)-1-propan-2-ylguanidine
CID 62364594
4-[[amino-(propan-2-ylamino)methylidene]amino]cyclohexane-1-carboxamide
CID 62363982
2-(7-bicyclo[4.1.0]heptanyl)-1-propan-2-ylguanidine
CID 131181910
2-cyclohexyl-1-(5-methylhexan-2-yl)guanidine
CID 63925710
2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-propan-2-ylguanidine
CID 122098461
2-[(4-methylmorpholin-2-yl)methyl]-1-propan-2-ylguanidine
CID 78931999
1-propan-2-yl-2-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]guanidine
CID 122082577
2-cyclopentyl-1-hexan-3-ylguanidine
CID 62362532
2-cyclopropyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine
CID 62364865
2-cyclopropyl-1-(3-ethylpentan-2-yl)guanidine
CID 63837649
2-cyclopentyl-1-(1-methoxy-3-methylbutan-2-yl)guanidine
CID 65047958
2-cyclohexyl-1-(4-phenylbutan-2-yl)guanidine
CID 62369558

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylazetidin-3-yl)-1-propan-2-ylguanidine?
The IUPAC name of 2-(1-methylazetidin-3-yl)-1-propan-2-ylguanidine (CID 130637018) is 2-(1-methylazetidin-3-yl)-1-propan-2-ylguanidine.
What is the SMILES notation for 2-(1-methylazetidin-3-yl)-1-propan-2-ylguanidine?
The canonical SMILES for 2-(1-methylazetidin-3-yl)-1-propan-2-ylguanidine is CC(C)N/C(N)=N/C1CN(C)C1.
What is the InChIKey of 2-(1-methylazetidin-3-yl)-1-propan-2-ylguanidine?
The InChIKey is XYOFGHALAGQBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-6(2)10-8(9)11-7-4-12(3)5-7/h6-7H,4-5H2,1-3H3,(H3,9,10,11).
What are the key properties of 2-(1-methylazetidin-3-yl)-1-propan-2-ylguanidine?
2-(1-methylazetidin-3-yl)-1-propan-2-ylguanidine has a molecular weight of 170.26 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylazetidin-3-yl)-1-propan-2-ylguanidine is sourced from PubChem (CID 130637018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).