amino 2-amino-6-(diaminomethylideneamino)hexanoate

C7H17N5O2 — CID 174392232

IUPACamino 2-amino-6-(diaminomethylideneamino)hexanoate
SMILESNOC(=O)C(N)CCCCN=C(N)N
InChIInChI=1S/C7H17N5O2/c8-5(6(13)14-11)3-1-2-4-12-7(9)10/h5H,1-4,8,11H2,(H4,9,10,12)
InChIKeyYBNXHLKNNNLHLQ-UHFFFAOYSA-N
MW203.25 g/mol
LogP-1.83
Rot. Bonds6

About amino 2-amino-6-(diaminomethylideneamino)hexanoate

amino 2-amino-6-(diaminomethylideneamino)hexanoate (PubChem CID 174392232) has the molecular formula C7H17N5O2 and a molecular weight of 203.25 g/mol. Its IUPAC name is amino 2-amino-6-(diaminomethylideneamino)hexanoate.

Molecular Properties

Compound Nameamino 2-amino-6-(diaminomethylideneamino)hexanoate
PubChem CID174392232
Molecular FormulaC7H17N5O2
Molecular Weight203.25 g/mol
Exact Mass203.14
IUPAC Nameamino 2-amino-6-(diaminomethylideneamino)hexanoate
SMILESNOC(=O)C(N)CCCCN=C(N)N
InChIInChI=1S/C7H17N5O2/c8-5(6(13)14-11)3-1-2-4-12-7(9)10/h5H,1-4,8,11H2,(H4,9,10,12)
InChIKeyYBNXHLKNNNLHLQ-UHFFFAOYSA-N
XLogP-1.83
TPSA142.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 5-1.83
H-Bond Donors ≤ 54
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

amino (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 54278665
aminomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 139681753
ethyl (2R)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 10130416
(2R)-2-amino-6-(diaminomethylideneamino)hexanoic acid;sulfuric acid
CID 139024984
ethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride
CID 45073230
ethyl 2-amino-5-(diaminomethylideneamino)pentanoate;dihydrate
CID 175283381
[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl] cyclopropanecarboxylate
CID 174904347
amino (2S)-2,6-diaminohexanoate
CID 18651785
acetic acid;methyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 175503093
tert-butyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 7016373
(diamino(114C)methylideneamino) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 54219477
(2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid;(2S)-2-aminopentanedioic acid
CID 157154468

Frequently Asked Questions

What is the IUPAC name of amino 2-amino-6-(diaminomethylideneamino)hexanoate?
The IUPAC name of amino 2-amino-6-(diaminomethylideneamino)hexanoate (CID 174392232) is amino 2-amino-6-(diaminomethylideneamino)hexanoate.
What is the SMILES notation for amino 2-amino-6-(diaminomethylideneamino)hexanoate?
The canonical SMILES for amino 2-amino-6-(diaminomethylideneamino)hexanoate is NOC(=O)C(N)CCCCN=C(N)N.
What is the InChIKey of amino 2-amino-6-(diaminomethylideneamino)hexanoate?
The InChIKey is YBNXHLKNNNLHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N5O2/c8-5(6(13)14-11)3-1-2-4-12-7(9)10/h5H,1-4,8,11H2,(H4,9,10,12).
What are the key properties of amino 2-amino-6-(diaminomethylideneamino)hexanoate?
amino 2-amino-6-(diaminomethylideneamino)hexanoate has a molecular weight of 203.25 g/mol, XLogP of -1.83, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-amino-6-(diaminomethylideneamino)hexanoate is sourced from PubChem (CID 174392232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).