(4-amino-6-methyl-5-oxooctyl)-(diaminomethylidene)azanium

C10H23N4O+ — CID 149017297

IUPAC(4-amino-6-methyl-5-oxooctyl)-(diaminomethylidene)azanium
SMILESCCC(C)C(=O)C(N)CCC[NH+]=C(N)N
InChIInChI=1S/C10H22N4O/c1-3-7(2)9(15)8(11)5-4-6-14-10(12)13/h7-8H,3-6,11H2,1-2H3,(H4,12,13,14)/p+1
InChIKeyQCUGVWGFWWNRJE-UHFFFAOYSA-O
MW215.32 g/mol
LogP-1.94
Rot. Bonds7

About (4-amino-6-methyl-5-oxooctyl)-(diaminomethylidene)azanium

(4-amino-6-methyl-5-oxooctyl)-(diaminomethylidene)azanium (PubChem CID 149017297) has the molecular formula C10H23N4O+ and a molecular weight of 215.32 g/mol. Its IUPAC name is (4-amino-6-methyl-5-oxooctyl)-(diaminomethylidene)azanium.

Molecular Properties

Compound Name(4-amino-6-methyl-5-oxooctyl)-(diaminomethylidene)azanium
PubChem CID149017297
Molecular FormulaC10H23N4O+
Molecular Weight215.32 g/mol
Exact Mass215.19
IUPAC Name(4-amino-6-methyl-5-oxooctyl)-(diaminomethylidene)azanium
SMILESCCC(C)C(=O)C(N)CCC[NH+]=C(N)N
InChIInChI=1S/C10H22N4O/c1-3-7(2)9(15)8(11)5-4-6-14-10(12)13/h7-8H,3-6,11H2,1-2H3,(H4,12,13,14)/p+1
InChIKeyQCUGVWGFWWNRJE-UHFFFAOYSA-O
XLogP-1.94
TPSA109.10 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 5-1.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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

(2S)-2-amino-5-(diaminomethylideneazaniumyl)pentanoate
CID 139182397
[(4S)-4-azaniumyl-5-oxohexyl]-(diaminomethylidene)azanium
CID 146162325
5-amino-9,10-diethyl-3,10-dimethyl-4-oxododecanamide
CID 91001837
[(4S)-5-amino-4-azaniumyl-5-oxopentyl]-(diaminomethylidene)azanium
CID 6995104
1-aminobutylidene-[(4S)-4-amino-4-carboxybutyl]azanium
CID 5289554
2-[(4R)-4-amino-6-methyl-5-oxononyl]guanidine
CID 129141783
[(4S)-4-carboxy-4-(dimethylamino)butyl]-(diaminomethylidene)azanium
CID 102255099
(5R)-1,5-diamino-7-methyltridecan-6-one
CID 129100220
(4S)-4-amino-2-methylnonan-3-one
CID 89254495
4-amino-2-methyloctan-3-one;methanamine
CID 167521180
(4-azaniumyl-4-hydroxybutyl)-(diaminomethylidene)azanium
CID 58710761
(2S)-2-[[(2S)-2-azaniumyl-5-(diaminomethylideneazaniumyl)pentanoyl]amino]-4-methylpentanoate
CID 6992562

Frequently Asked Questions

What is the IUPAC name of (4-amino-6-methyl-5-oxooctyl)-(diaminomethylidene)azanium?
The IUPAC name of (4-amino-6-methyl-5-oxooctyl)-(diaminomethylidene)azanium (CID 149017297) is (4-amino-6-methyl-5-oxooctyl)-(diaminomethylidene)azanium.
What is the SMILES notation for (4-amino-6-methyl-5-oxooctyl)-(diaminomethylidene)azanium?
The canonical SMILES for (4-amino-6-methyl-5-oxooctyl)-(diaminomethylidene)azanium is CCC(C)C(=O)C(N)CCC[NH+]=C(N)N.
What is the InChIKey of (4-amino-6-methyl-5-oxooctyl)-(diaminomethylidene)azanium?
The InChIKey is QCUGVWGFWWNRJE-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H22N4O/c1-3-7(2)9(15)8(11)5-4-6-14-10(12)13/h7-8H,3-6,11H2,1-2H3,(H4,12,13,14)/p+1.
What are the key properties of (4-amino-6-methyl-5-oxooctyl)-(diaminomethylidene)azanium?
(4-amino-6-methyl-5-oxooctyl)-(diaminomethylidene)azanium has a molecular weight of 215.32 g/mol, XLogP of -1.94, 7 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-6-methyl-5-oxooctyl)-(diaminomethylidene)azanium is sourced from PubChem (CID 149017297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).