2-methyl-1-(3-oxopentyl)guanidine

C7H15N3O — CID 142981589

IUPAC2-methyl-1-(3-oxopentyl)guanidine
SMILESCCC(=O)CCN/C(N)=N/C
InChIInChI=1S/C7H15N3O/c1-3-6(11)4-5-10-7(8)9-2/h3-5H2,1-2H3,(H3,8,9,10)
InChIKeyXLQIZXMODREXTF-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.11
Rot. Bonds4

About 2-methyl-1-(3-oxopentyl)guanidine

2-methyl-1-(3-oxopentyl)guanidine (PubChem CID 142981589) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 2-methyl-1-(3-oxopentyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(3-oxopentyl)guanidine
PubChem CID142981589
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name2-methyl-1-(3-oxopentyl)guanidine
SMILESCCC(=O)CCN/C(N)=N/C
InChIInChI=1S/C7H15N3O/c1-3-6(11)4-5-10-7(8)9-2/h3-5H2,1-2H3,(H3,8,9,10)
InChIKeyXLQIZXMODREXTF-UHFFFAOYSA-N
XLogP-0.11
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.11
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

3-oxopentylurea
CID 19425945
N-methyl-3-[(N'-methylcarbamimidoyl)amino]propanamide
CID 62359742
2-methyl-1-(4-methyl-3-oxopentyl)guanidine
CID 58774105
3-[(N'-methylcarbamimidoyl)amino]-N-propan-2-ylpropanamide
CID 115600936
2-[(N'-methylcarbamimidoyl)amino]ethyl carbamate
CID 83203999
1-butyl-2-methylguanidine;propane
CID 163254942
molecular hydrogen;N-(3-oxopentyl)propanamide
CID 142546391
2-methyl-1-(2-sulfamoylethyl)guanidine
CID 62358628
2-[(N'-methylcarbamimidoyl)amino]ethyl octanoate
CID 87515035
N-(2-hydroxyethyl)-5-[(N'-methylcarbamimidoyl)amino]pentanamide
CID 123137828
1-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine;hydroiodide
CID 111107658
1-(hydroxymethyl)-2-methylguanidine
CID 134159651

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-oxopentyl)guanidine?
The IUPAC name of 2-methyl-1-(3-oxopentyl)guanidine (CID 142981589) is 2-methyl-1-(3-oxopentyl)guanidine.
What is the SMILES notation for 2-methyl-1-(3-oxopentyl)guanidine?
The canonical SMILES for 2-methyl-1-(3-oxopentyl)guanidine is CCC(=O)CCN/C(N)=N/C.
What is the InChIKey of 2-methyl-1-(3-oxopentyl)guanidine?
The InChIKey is XLQIZXMODREXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-3-6(11)4-5-10-7(8)9-2/h3-5H2,1-2H3,(H3,8,9,10).
What are the key properties of 2-methyl-1-(3-oxopentyl)guanidine?
2-methyl-1-(3-oxopentyl)guanidine has a molecular weight of 157.22 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-oxopentyl)guanidine is sourced from PubChem (CID 142981589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).