2-[(4S)-1-(diaminomethylideneamino)-6-methyl-5-oxoheptan-4-yl]guanidine

C10H22N6O — CID 153423260

IUPAC2-[(4S)-1-(diaminomethylideneamino)-6-methyl-5-oxoheptan-4-yl]guanidine
SMILESCC(C)C(=O)[C@H](CCCN=C(N)N)N=C(N)N
InChIInChI=1S/C10H22N6O/c1-6(2)8(17)7(16-10(13)14)4-3-5-15-9(11)12/h6-7H,3-5H2,1-2H3,(H4,11,12,15)(H4,13,14,16)/t7-/m0/s1
InChIKeyFWNKDSXGLGTWLK-ZETCQYMHSA-N
MW242.33 g/mol
LogP-1.09
Rot. Bonds7

About 2-[(4S)-1-(diaminomethylideneamino)-6-methyl-5-oxoheptan-4-yl]guanidine

2-[(4S)-1-(diaminomethylideneamino)-6-methyl-5-oxoheptan-4-yl]guanidine (PubChem CID 153423260) has the molecular formula C10H22N6O and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-[(4S)-1-(diaminomethylideneamino)-6-methyl-5-oxoheptan-4-yl]guanidine.

Molecular Properties

Compound Name2-[(4S)-1-(diaminomethylideneamino)-6-methyl-5-oxoheptan-4-yl]guanidine
PubChem CID153423260
Molecular FormulaC10H22N6O
Molecular Weight242.33 g/mol
Exact Mass242.19
IUPAC Name2-[(4S)-1-(diaminomethylideneamino)-6-methyl-5-oxoheptan-4-yl]guanidine
SMILESCC(C)C(=O)[C@H](CCCN=C(N)N)N=C(N)N
InChIInChI=1S/C10H22N6O/c1-6(2)8(17)7(16-10(13)14)4-3-5-15-9(11)12/h6-7H,3-5H2,1-2H3,(H4,11,12,15)(H4,13,14,16)/t7-/m0/s1
InChIKeyFWNKDSXGLGTWLK-ZETCQYMHSA-N
XLogP-1.09
TPSA145.87 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
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-[(4R)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(3R)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(3S)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine;2-[(2R)-2-amino-4-methyl-3-oxopentyl]guanidine
CID 160566673
ethane;2-(4-methylpentyl)guanidine
CID 170602256
2-[(4R)-4-(methylamino)-5-oxohexyl]guanidine
CID 59966003
(2S)-N-(2-amino-2-oxoethyl)-5-(diaminomethylideneamino)-2-methylpentanamide
CID 147410146
2-[(4R)-4-amino-6-methyl-5-oxononyl]guanidine
CID 129141783
ethane;2-[4-(methylamino)-5-oxohexyl]guanidine
CID 145328889
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopropanoic acid
CID 21226270
5-(diaminomethylideneamino)-2-(methylamino)pentanamide
CID 58899050
2-[(4R)-4-amino-6-ethyl-5-oxooctyl]guanidine
CID 146421997
2-[(4S)-4-amino-5,5,8-trimethyl-7-oxononyl]guanidine
CID 166644701
2-[(4R)-4-(methylamino)pentyl]guanidine
CID 59032682
2-(3,5-diamino-4-oxohexyl)guanidine
CID 91251591

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1-(diaminomethylideneamino)-6-methyl-5-oxoheptan-4-yl]guanidine?
The IUPAC name of 2-[(4S)-1-(diaminomethylideneamino)-6-methyl-5-oxoheptan-4-yl]guanidine (CID 153423260) is 2-[(4S)-1-(diaminomethylideneamino)-6-methyl-5-oxoheptan-4-yl]guanidine.
What is the SMILES notation for 2-[(4S)-1-(diaminomethylideneamino)-6-methyl-5-oxoheptan-4-yl]guanidine?
The canonical SMILES for 2-[(4S)-1-(diaminomethylideneamino)-6-methyl-5-oxoheptan-4-yl]guanidine is CC(C)C(=O)[C@H](CCCN=C(N)N)N=C(N)N.
What is the InChIKey of 2-[(4S)-1-(diaminomethylideneamino)-6-methyl-5-oxoheptan-4-yl]guanidine?
The InChIKey is FWNKDSXGLGTWLK-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H22N6O/c1-6(2)8(17)7(16-10(13)14)4-3-5-15-9(11)12/h6-7H,3-5H2,1-2H3,(H4,11,12,15)(H4,13,14,16)/t7-/m0/s1.
What are the key properties of 2-[(4S)-1-(diaminomethylideneamino)-6-methyl-5-oxoheptan-4-yl]guanidine?
2-[(4S)-1-(diaminomethylideneamino)-6-methyl-5-oxoheptan-4-yl]guanidine has a molecular weight of 242.33 g/mol, XLogP of -1.09, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1-(diaminomethylideneamino)-6-methyl-5-oxoheptan-4-yl]guanidine is sourced from PubChem (CID 153423260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).