2-[(4S)-4,6-diamino-5-oxoheptyl]guanidine

C8H19N5O — CID 57212739

IUPAC2-[(4S)-4,6-diamino-5-oxoheptyl]guanidine
SMILESCC(N)C(=O)[C@@H](N)CCCN=C(N)N
InChIInChI=1S/C8H19N5O/c1-5(9)7(14)6(10)3-2-4-13-8(11)12/h5-6H,2-4,9-10H2,1H3,(H4,11,12,13)/t5?,6-/m0/s1
InChIKeyBPYQVOWKZNLTCU-GDVGLLTNSA-N
MW201.27 g/mol
LogP-1.72
Rot. Bonds6

About 2-[(4S)-4,6-diamino-5-oxoheptyl]guanidine

2-[(4S)-4,6-diamino-5-oxoheptyl]guanidine (PubChem CID 57212739) has the molecular formula C8H19N5O and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[(4S)-4,6-diamino-5-oxoheptyl]guanidine.

Molecular Properties

Compound Name2-[(4S)-4,6-diamino-5-oxoheptyl]guanidine
PubChem CID57212739
Molecular FormulaC8H19N5O
Molecular Weight201.27 g/mol
Exact Mass201.16
IUPAC Name2-[(4S)-4,6-diamino-5-oxoheptyl]guanidine
SMILESCC(N)C(=O)[C@@H](N)CCCN=C(N)N
InChIInChI=1S/C8H19N5O/c1-5(9)7(14)6(10)3-2-4-13-8(11)12/h5-6H,2-4,9-10H2,1H3,(H4,11,12,13)/t5?,6-/m0/s1
InChIKeyBPYQVOWKZNLTCU-GDVGLLTNSA-N
XLogP-1.72
TPSA133.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-1.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

Muscarinic receptor antagonist 1
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Deoxy-methyl-arginine
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Arginylfluoromethane
CID 53644704
2-[(4S)-4-(methylamino)-5-oxohexyl]guanidine
CID 58651720
1,1'-(5-Oxoheptane-1,4-diyl)diguanidine
CID 87221784
2-(4-Amino-6-fluoro-5-oxohexyl)guanidine
CID 76058401
2-(4-Amino-5-oxohexyl)-1-fluoro-1-methylguanidine
CID 134250477
N-(5-Amino-6-oxo-heptyl)-acetamidine
CID 44393463
[(4S)-4-azaniumyl-5-oxoheptyl]-(diaminomethylidene)azanium
CID 146162321
[(4S)-4-azaniumyl-5-oxohexyl]-(diaminomethylidene)azanium
CID 146162325
2-[4-Amino-13-(diaminomethylideneamino)-5-oxotridecyl]guanidine
CID 169491591
2-(4-Amino-5-oxohexyl)guanidine
CID 4473079

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4,6-diamino-5-oxoheptyl]guanidine?
The IUPAC name of 2-[(4S)-4,6-diamino-5-oxoheptyl]guanidine (CID 57212739) is 2-[(4S)-4,6-diamino-5-oxoheptyl]guanidine.
What is the SMILES notation for 2-[(4S)-4,6-diamino-5-oxoheptyl]guanidine?
The canonical SMILES for 2-[(4S)-4,6-diamino-5-oxoheptyl]guanidine is CC(N)C(=O)[C@@H](N)CCCN=C(N)N.
What is the InChIKey of 2-[(4S)-4,6-diamino-5-oxoheptyl]guanidine?
The InChIKey is BPYQVOWKZNLTCU-GDVGLLTNSA-N. The full InChI is InChI=1S/C8H19N5O/c1-5(9)7(14)6(10)3-2-4-13-8(11)12/h5-6H,2-4,9-10H2,1H3,(H4,11,12,13)/t5?,6-/m0/s1.
What are the key properties of 2-[(4S)-4,6-diamino-5-oxoheptyl]guanidine?
2-[(4S)-4,6-diamino-5-oxoheptyl]guanidine has a molecular weight of 201.27 g/mol, XLogP of -1.72, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4,6-diamino-5-oxoheptyl]guanidine is sourced from PubChem (CID 57212739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).