2-[4-[(2-methyl-3-oxobutan-2-yl)amino]butyl]guanidine

C10H22N4O — CID 91298685

IUPAC2-[4-[(2-methyl-3-oxobutan-2-yl)amino]butyl]guanidine
SMILESCC(=O)C(C)(C)NCCCCN=C(N)N
InChIInChI=1S/C10H22N4O/c1-8(15)10(2,3)14-7-5-4-6-13-9(11)12/h14H,4-7H2,1-3H3,(H4,11,12,13)
InChIKeyHLNSSVMZMUBKDL-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.00
Rot. Bonds7

About 2-[4-[(2-methyl-3-oxobutan-2-yl)amino]butyl]guanidine

2-[4-[(2-methyl-3-oxobutan-2-yl)amino]butyl]guanidine (PubChem CID 91298685) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[4-[(2-methyl-3-oxobutan-2-yl)amino]butyl]guanidine.

Molecular Properties

Compound Name2-[4-[(2-methyl-3-oxobutan-2-yl)amino]butyl]guanidine
PubChem CID91298685
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name2-[4-[(2-methyl-3-oxobutan-2-yl)amino]butyl]guanidine
SMILESCC(=O)C(C)(C)NCCCCN=C(N)N
InChIInChI=1S/C10H22N4O/c1-8(15)10(2,3)14-7-5-4-6-13-9(11)12/h14H,4-7H2,1-3H3,(H4,11,12,13)
InChIKeyHLNSSVMZMUBKDL-UHFFFAOYSA-N
XLogP-0.00
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
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-[7-(ethylamino)heptyl]guanidine
CID 10104259
tert-butyl N-[3-(diaminomethylideneamino)propyl]carbamate
CID 15311263
acetic acid;2-(22-aminodocosyl)guanidine
CID 172684363
5-(diaminomethylideneamino)-N-ethylpentanamide
CID 123296097
tert-butyl N-[2-[2-[4-(diaminomethylideneamino)butylcarbamoylamino]ethoxy]ethyl]carbamate
CID 101236265
5-(diaminomethylideneamino)-N-methylpentanamide
CID 122591455
N-[5-(diaminomethylideneamino)pentyl]docosanamide
CID 135363931
2-[5-(3-methylbut-2-enylamino)pentyl]guanidine
CID 142908035
2-[16-(methylamino)-17-oxooctadecyl]guanidine
CID 149014155
acetic acid;2-amino-N-[10-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]decyl]-5-(diaminomethylideneamino)pentanamide
CID 54604077
(2S)-2-amino-6-[[(2S)-2-amino-6-(diaminomethylideneamino)hexanoyl]amino]hexanamide
CID 141439784
(2R)-N-[4-(diaminomethylideneamino)butyl]-4-methyl-2-propan-2-ylpentanamide
CID 146587303

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methyl-3-oxobutan-2-yl)amino]butyl]guanidine?
The IUPAC name of 2-[4-[(2-methyl-3-oxobutan-2-yl)amino]butyl]guanidine (CID 91298685) is 2-[4-[(2-methyl-3-oxobutan-2-yl)amino]butyl]guanidine.
What is the SMILES notation for 2-[4-[(2-methyl-3-oxobutan-2-yl)amino]butyl]guanidine?
The canonical SMILES for 2-[4-[(2-methyl-3-oxobutan-2-yl)amino]butyl]guanidine is CC(=O)C(C)(C)NCCCCN=C(N)N.
What is the InChIKey of 2-[4-[(2-methyl-3-oxobutan-2-yl)amino]butyl]guanidine?
The InChIKey is HLNSSVMZMUBKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-8(15)10(2,3)14-7-5-4-6-13-9(11)12/h14H,4-7H2,1-3H3,(H4,11,12,13).
What are the key properties of 2-[4-[(2-methyl-3-oxobutan-2-yl)amino]butyl]guanidine?
2-[4-[(2-methyl-3-oxobutan-2-yl)amino]butyl]guanidine has a molecular weight of 214.31 g/mol, XLogP of -0.00, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methyl-3-oxobutan-2-yl)amino]butyl]guanidine is sourced from PubChem (CID 91298685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).