6-amino-N-fluoro-N-methylhexanamide;5-(diaminomethylideneamino)pentanoic acid

C13H28FN5O3 — CID 144969972

IUPAC6-amino-N-fluoro-N-methylhexanamide;5-(diaminomethylideneamino)pentanoic acid
SMILESCN(F)C(=O)CCCCCN.NC(N)=NCCCCC(=O)O
InChIInChI=1S/C7H15FN2O.C6H13N3O2/c1-10(8)7(11)5-3-2-4-6-9;7-6(8)9-4-2-1-3-5(10)11/h2-6,9H2,1H3;1-4H2,(H,10,11)(H4,7,8,9)
InChIKeyLKQAHNYKLSUAOD-UHFFFAOYSA-N
MW321.40 g/mol
LogP0.36
Rot. Bonds10

About 6-amino-N-fluoro-N-methylhexanamide;5-(diaminomethylideneamino)pentanoic acid

6-amino-N-fluoro-N-methylhexanamide;5-(diaminomethylideneamino)pentanoic acid (PubChem CID 144969972) has the molecular formula C13H28FN5O3 and a molecular weight of 321.40 g/mol. Its IUPAC name is 6-amino-N-fluoro-N-methylhexanamide;5-(diaminomethylideneamino)pentanoic acid.

Molecular Properties

Compound Name6-amino-N-fluoro-N-methylhexanamide;5-(diaminomethylideneamino)pentanoic acid
PubChem CID144969972
Molecular FormulaC13H28FN5O3
Molecular Weight321.40 g/mol
Exact Mass321.22
IUPAC Name6-amino-N-fluoro-N-methylhexanamide;5-(diaminomethylideneamino)pentanoic acid
SMILESCN(F)C(=O)CCCCCN.NC(N)=NCCCCC(=O)O
InChIInChI=1S/C7H15FN2O.C6H13N3O2/c1-10(8)7(11)5-3-2-4-6-9;7-6(8)9-4-2-1-3-5(10)11/h2-6,9H2,1H3;1-4H2,(H,10,11)(H4,7,8,9)
InChIKeyLKQAHNYKLSUAOD-UHFFFAOYSA-N
XLogP0.36
TPSA148.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 50.36
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'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

acetic acid;2-(22-aminodocosyl)guanidine
CID 172684363
9-bromononanoic acid;9-(diaminomethylideneamino)nonanoic acid
CID 158146578
2-butylguanidine;octadecanoic acid
CID 158758420
4-[6-aminohexanoyl(methyl)amino]butanoic acid
CID 61160590
11-aminoundecanoic acid;ethane
CID 144914161
12-aminododecanoic acid;carbamic acid
CID 157488032
nonanedioic acid;tridecane-1,13-diamine
CID 21330241
heptanedioic acid;hexane-1,6-diamine
CID 174639050
2-(4-aminobutyl)guanidine
CID 22560045
6-(diaminomethylideneamino)hexanoic acid;methyl 2-(diaminomethylideneamino)acetate
CID 87620190
6-aminohexanoic acid;ethane;molecular hydrogen
CID 143775887
12-aminododecanoic acid;hydrochloride
CID 12651573

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-fluoro-N-methylhexanamide;5-(diaminomethylideneamino)pentanoic acid?
The IUPAC name of 6-amino-N-fluoro-N-methylhexanamide;5-(diaminomethylideneamino)pentanoic acid (CID 144969972) is 6-amino-N-fluoro-N-methylhexanamide;5-(diaminomethylideneamino)pentanoic acid.
What is the SMILES notation for 6-amino-N-fluoro-N-methylhexanamide;5-(diaminomethylideneamino)pentanoic acid?
The canonical SMILES for 6-amino-N-fluoro-N-methylhexanamide;5-(diaminomethylideneamino)pentanoic acid is CN(F)C(=O)CCCCCN.NC(N)=NCCCCC(=O)O.
What is the InChIKey of 6-amino-N-fluoro-N-methylhexanamide;5-(diaminomethylideneamino)pentanoic acid?
The InChIKey is LKQAHNYKLSUAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2O.C6H13N3O2/c1-10(8)7(11)5-3-2-4-6-9;7-6(8)9-4-2-1-3-5(10)11/h2-6,9H2,1H3;1-4H2,(H,10,11)(H4,7,8,9).
What are the key properties of 6-amino-N-fluoro-N-methylhexanamide;5-(diaminomethylideneamino)pentanoic acid?
6-amino-N-fluoro-N-methylhexanamide;5-(diaminomethylideneamino)pentanoic acid has a molecular weight of 321.40 g/mol, XLogP of 0.36, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-fluoro-N-methylhexanamide;5-(diaminomethylideneamino)pentanoic acid is sourced from PubChem (CID 144969972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).