2-[(4R)-4-amino-6-ethyl-5-oxooctyl]guanidine

C11H24N4O — CID 146421997

IUPAC2-[(4R)-4-amino-6-ethyl-5-oxooctyl]guanidine
SMILESCCC(CC)C(=O)[C@H](N)CCCN=C(N)N
InChIInChI=1S/C11H24N4O/c1-3-8(4-2)10(16)9(12)6-5-7-15-11(13)14/h8-9H,3-7,12H2,1-2H3,(H4,13,14,15)/t9-/m1/s1
InChIKeyMRMJVENHCTYVQO-SECBINFHSA-N
MW228.34 g/mol
LogP0.37
Rot. Bonds8

About 2-[(4R)-4-amino-6-ethyl-5-oxooctyl]guanidine

2-[(4R)-4-amino-6-ethyl-5-oxooctyl]guanidine (PubChem CID 146421997) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[(4R)-4-amino-6-ethyl-5-oxooctyl]guanidine.

Molecular Properties

Compound Name2-[(4R)-4-amino-6-ethyl-5-oxooctyl]guanidine
PubChem CID146421997
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name2-[(4R)-4-amino-6-ethyl-5-oxooctyl]guanidine
SMILESCCC(CC)C(=O)[C@H](N)CCCN=C(N)N
InChIInChI=1S/C11H24N4O/c1-3-8(4-2)10(16)9(12)6-5-7-15-11(13)14/h8-9H,3-7,12H2,1-2H3,(H4,13,14,15)/t9-/m1/s1
InChIKeyMRMJVENHCTYVQO-SECBINFHSA-N
XLogP0.37
TPSA107.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.37
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-[(4R)-4-amino-6-methyl-5-oxononyl]guanidine
CID 129141783
ethyl (2R)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 10130416
2-[(4S,10S)-4,10-diamino-6,8-dichloro-13-(diaminomethylideneamino)-5,7,9-trioxotridecyl]guanidine
CID 54217718
2-amino-5-(diaminomethylideneamino)pentanoic acid;ethanol;hydrochloride
CID 174671345
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-propylguanidine
CID 87334568
ethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride
CID 45073230
ethyl 2-amino-5-(diaminomethylideneamino)pentanoate;dihydrate
CID 175283381
(2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2R)-2-aminohexanoic acid
CID 160879747
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
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617
2-amino-5-(diaminomethylideneamino)pentanoic acid;ruthenium(2+)
CID 23025269
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-amino-6-ethyl-5-oxooctyl]guanidine?
The IUPAC name of 2-[(4R)-4-amino-6-ethyl-5-oxooctyl]guanidine (CID 146421997) is 2-[(4R)-4-amino-6-ethyl-5-oxooctyl]guanidine.
What is the SMILES notation for 2-[(4R)-4-amino-6-ethyl-5-oxooctyl]guanidine?
The canonical SMILES for 2-[(4R)-4-amino-6-ethyl-5-oxooctyl]guanidine is CCC(CC)C(=O)[C@H](N)CCCN=C(N)N.
What is the InChIKey of 2-[(4R)-4-amino-6-ethyl-5-oxooctyl]guanidine?
The InChIKey is MRMJVENHCTYVQO-SECBINFHSA-N. The full InChI is InChI=1S/C11H24N4O/c1-3-8(4-2)10(16)9(12)6-5-7-15-11(13)14/h8-9H,3-7,12H2,1-2H3,(H4,13,14,15)/t9-/m1/s1.
What are the key properties of 2-[(4R)-4-amino-6-ethyl-5-oxooctyl]guanidine?
2-[(4R)-4-amino-6-ethyl-5-oxooctyl]guanidine has a molecular weight of 228.34 g/mol, XLogP of 0.37, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-amino-6-ethyl-5-oxooctyl]guanidine is sourced from PubChem (CID 146421997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).