2-[(4R)-4-amino-6-methyl-5-oxononyl]guanidine

C11H24N4O — CID 129141783

IUPAC2-[(4R)-4-amino-6-methyl-5-oxononyl]guanidine
SMILESCCCC(C)C(=O)[C@H](N)CCCN=C(N)N
InChIInChI=1S/C11H24N4O/c1-3-5-8(2)10(16)9(12)6-4-7-15-11(13)14/h8-9H,3-7,12H2,1-2H3,(H4,13,14,15)/t8?,9-/m1/s1
InChIKeyJVFCMGQQDWXQAS-YGPZHTELSA-N
MW228.34 g/mol
LogP0.37
Rot. Bonds8

About 2-[(4R)-4-amino-6-methyl-5-oxononyl]guanidine

2-[(4R)-4-amino-6-methyl-5-oxononyl]guanidine (PubChem CID 129141783) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[(4R)-4-amino-6-methyl-5-oxononyl]guanidine.

Molecular Properties

Compound Name2-[(4R)-4-amino-6-methyl-5-oxononyl]guanidine
PubChem CID129141783
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name2-[(4R)-4-amino-6-methyl-5-oxononyl]guanidine
SMILESCCCC(C)C(=O)[C@H](N)CCCN=C(N)N
InChIInChI=1S/C11H24N4O/c1-3-5-8(2)10(16)9(12)6-4-7-15-11(13)14/h8-9H,3-7,12H2,1-2H3,(H4,13,14,15)/t8?,9-/m1/s1
InChIKeyJVFCMGQQDWXQAS-YGPZHTELSA-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-ethyl-5-oxooctyl]guanidine
CID 146421997
ethyl (2R)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 10130416
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-propylguanidine
CID 87334568
ethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride
CID 45073230
(2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2R)-2-aminohexanoic acid
CID 160879747
ethyl 2-amino-5-(diaminomethylideneamino)pentanoate;dihydrate
CID 175283381
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
(2S)-2-amino-N-(1-aminobutyl)-5-(diaminomethylideneamino)-N-methylpentanamide
CID 175579254
2-[(4S,10S)-4,10-diamino-6,8-dichloro-13-(diaminomethylideneamino)-5,7,9-trioxotridecyl]guanidine
CID 54217718
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopropanoic acid
CID 21226270
2-amino-5-(diaminomethylideneamino)pentanoic acid;ethanol;hydrochloride
CID 174671345
2-(3,5-diamino-4-oxohexyl)guanidine
CID 91251591

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-amino-6-methyl-5-oxononyl]guanidine?
The IUPAC name of 2-[(4R)-4-amino-6-methyl-5-oxononyl]guanidine (CID 129141783) is 2-[(4R)-4-amino-6-methyl-5-oxononyl]guanidine.
What is the SMILES notation for 2-[(4R)-4-amino-6-methyl-5-oxononyl]guanidine?
The canonical SMILES for 2-[(4R)-4-amino-6-methyl-5-oxononyl]guanidine is CCCC(C)C(=O)[C@H](N)CCCN=C(N)N.
What is the InChIKey of 2-[(4R)-4-amino-6-methyl-5-oxononyl]guanidine?
The InChIKey is JVFCMGQQDWXQAS-YGPZHTELSA-N. The full InChI is InChI=1S/C11H24N4O/c1-3-5-8(2)10(16)9(12)6-4-7-15-11(13)14/h8-9H,3-7,12H2,1-2H3,(H4,13,14,15)/t8?,9-/m1/s1.
What are the key properties of 2-[(4R)-4-amino-6-methyl-5-oxononyl]guanidine?
2-[(4R)-4-amino-6-methyl-5-oxononyl]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-methyl-5-oxononyl]guanidine is sourced from PubChem (CID 129141783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).