6-(diaminomethylideneamino)hexanoic acid;methyl 2-(diaminomethylideneamino)acetate

C11H24N6O4 — CID 87620190

IUPAC6-(diaminomethylideneamino)hexanoic acid;methyl 2-(diaminomethylideneamino)acetate
SMILESCOC(=O)CN=C(N)N.NC(N)=NCCCCCC(=O)O
InChIInChI=1S/C7H15N3O2.C4H9N3O2/c8-7(9)10-5-3-1-2-4-6(11)12;1-9-3(8)2-7-4(5)6/h1-5H2,(H,11,12)(H4,8,9,10);2H2,1H3,(H4,5,6,7)
InChIKeyWMEPGTTYQAWPNE-UHFFFAOYSA-N
MW304.35 g/mol
LogP-1.66
Rot. Bonds8

About 6-(diaminomethylideneamino)hexanoic acid;methyl 2-(diaminomethylideneamino)acetate

6-(diaminomethylideneamino)hexanoic acid;methyl 2-(diaminomethylideneamino)acetate (PubChem CID 87620190) has the molecular formula C11H24N6O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 6-(diaminomethylideneamino)hexanoic acid;methyl 2-(diaminomethylideneamino)acetate.

Molecular Properties

Compound Name6-(diaminomethylideneamino)hexanoic acid;methyl 2-(diaminomethylideneamino)acetate
PubChem CID87620190
Molecular FormulaC11H24N6O4
Molecular Weight304.35 g/mol
Exact Mass304.19
IUPAC Name6-(diaminomethylideneamino)hexanoic acid;methyl 2-(diaminomethylideneamino)acetate
SMILESCOC(=O)CN=C(N)N.NC(N)=NCCCCCC(=O)O
InChIInChI=1S/C7H15N3O2.C4H9N3O2/c8-7(9)10-5-3-1-2-4-6(11)12;1-9-3(8)2-7-4(5)6/h1-5H2,(H,11,12)(H4,8,9,10);2H2,1H3,(H4,5,6,7)
InChIKeyWMEPGTTYQAWPNE-UHFFFAOYSA-N
XLogP-1.66
TPSA192.40 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 5-1.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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

9-bromononanoic acid;9-(diaminomethylideneamino)nonanoic acid
CID 158146578
2-butylguanidine;octadecanoic acid
CID 158758420
dimethyl tetradecanedioate;tetradecanedioic acid
CID 175922218
ethyl 7-(diaminomethylideneamino)heptanoate;hydroiodide
CID 110930117
8-methoxy-8-oxooctanoic acid;hydrochloride
CID 87214836
11-[(4-ethoxy-4-oxobutan-2-ylidene)amino]undecanoic acid
CID 56609518
methyl 7-[[amino(diethylamino)methylidene]amino]heptanoate
CID 111040539
6-amino-N-fluoro-N-methylhexanamide;5-(diaminomethylideneamino)pentanoic acid
CID 144969972
13-methoxy-13-oxotridecanoic acid;N-methylmethanamine
CID 88504944
5-(diaminomethylideneamino)-N-methylpentanamide
CID 122591455
dimethyl butanedioate;hexanoic acid
CID 174884800
2-(6-oxohenicosyl)guanidine
CID 163454706

Frequently Asked Questions

What is the IUPAC name of 6-(diaminomethylideneamino)hexanoic acid;methyl 2-(diaminomethylideneamino)acetate?
The IUPAC name of 6-(diaminomethylideneamino)hexanoic acid;methyl 2-(diaminomethylideneamino)acetate (CID 87620190) is 6-(diaminomethylideneamino)hexanoic acid;methyl 2-(diaminomethylideneamino)acetate.
What is the SMILES notation for 6-(diaminomethylideneamino)hexanoic acid;methyl 2-(diaminomethylideneamino)acetate?
The canonical SMILES for 6-(diaminomethylideneamino)hexanoic acid;methyl 2-(diaminomethylideneamino)acetate is COC(=O)CN=C(N)N.NC(N)=NCCCCCC(=O)O.
What is the InChIKey of 6-(diaminomethylideneamino)hexanoic acid;methyl 2-(diaminomethylideneamino)acetate?
The InChIKey is WMEPGTTYQAWPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2.C4H9N3O2/c8-7(9)10-5-3-1-2-4-6(11)12;1-9-3(8)2-7-4(5)6/h1-5H2,(H,11,12)(H4,8,9,10);2H2,1H3,(H4,5,6,7).
What are the key properties of 6-(diaminomethylideneamino)hexanoic acid;methyl 2-(diaminomethylideneamino)acetate?
6-(diaminomethylideneamino)hexanoic acid;methyl 2-(diaminomethylideneamino)acetate has a molecular weight of 304.35 g/mol, XLogP of -1.66, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diaminomethylideneamino)hexanoic acid;methyl 2-(diaminomethylideneamino)acetate is sourced from PubChem (CID 87620190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).