2-[4-[methyl(2-oxobutyl)amino]butyl]guanidine

C10H22N4O — CID 167242341

IUPAC2-[4-[methyl(2-oxobutyl)amino]butyl]guanidine
SMILESCCC(=O)CN(C)CCCCN=C(N)N
InChIInChI=1S/C10H22N4O/c1-3-9(15)8-14(2)7-5-4-6-13-10(11)12/h3-8H2,1-2H3,(H4,11,12,13)
InChIKeyWWFVMCNVZKDUIA-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.05
Rot. Bonds8

About 2-[4-[methyl(2-oxobutyl)amino]butyl]guanidine

2-[4-[methyl(2-oxobutyl)amino]butyl]guanidine (PubChem CID 167242341) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[4-[methyl(2-oxobutyl)amino]butyl]guanidine.

Molecular Properties

Compound Name2-[4-[methyl(2-oxobutyl)amino]butyl]guanidine
PubChem CID167242341
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name2-[4-[methyl(2-oxobutyl)amino]butyl]guanidine
SMILESCCC(=O)CN(C)CCCCN=C(N)N
InChIInChI=1S/C10H22N4O/c1-3-9(15)8-14(2)7-5-4-6-13-10(11)12/h3-8H2,1-2H3,(H4,11,12,13)
InChIKeyWWFVMCNVZKDUIA-UHFFFAOYSA-N
XLogP-0.05
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(5-oxoheptyl)guanidine
CID 89070451
N,N-bis[8-(diaminomethylideneamino)octyl]octadecanamide
CID 11949663
2-(6-oxohenicosyl)guanidine
CID 163454706
oxalic acid;2-tetradecylguanidine
CID 88685065
2-[methyl(tridecyl)amino]acetamide
CID 175737609
2-[butyl(methyl)amino]acetamide
CID 22371777
1-[2-ethoxyethyl(methyl)amino]butan-2-one
CID 81057911
(2S)-2-amino-N-(1-aminobutyl)-5-(diaminomethylideneamino)-N-methylpentanamide
CID 175579254
1-[amino(methyl)amino]butan-2-one
CID 146213557
2-[(5-amino-5-sulfanylidenepentyl)-methylamino]-N,N-diethylacetamide
CID 54966442
1-[methyl(2-propan-2-yloxyethyl)amino]butan-2-one
CID 81057198
2-[4-aminobutyl(methyl)amino]-N,N-diethylacetamide
CID 61453098

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(2-oxobutyl)amino]butyl]guanidine?
The IUPAC name of 2-[4-[methyl(2-oxobutyl)amino]butyl]guanidine (CID 167242341) is 2-[4-[methyl(2-oxobutyl)amino]butyl]guanidine.
What is the SMILES notation for 2-[4-[methyl(2-oxobutyl)amino]butyl]guanidine?
The canonical SMILES for 2-[4-[methyl(2-oxobutyl)amino]butyl]guanidine is CCC(=O)CN(C)CCCCN=C(N)N.
What is the InChIKey of 2-[4-[methyl(2-oxobutyl)amino]butyl]guanidine?
The InChIKey is WWFVMCNVZKDUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-3-9(15)8-14(2)7-5-4-6-13-10(11)12/h3-8H2,1-2H3,(H4,11,12,13).
What are the key properties of 2-[4-[methyl(2-oxobutyl)amino]butyl]guanidine?
2-[4-[methyl(2-oxobutyl)amino]butyl]guanidine has a molecular weight of 214.31 g/mol, XLogP of -0.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl(2-oxobutyl)amino]butyl]guanidine is sourced from PubChem (CID 167242341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).