amino 2-amino-5-(diaminomethylideneamino)-2-propylpentanoate

C9H21N5O2 — CID 140586428

IUPACamino 2-amino-5-(diaminomethylideneamino)-2-propylpentanoate
SMILESCCCC(N)(CCCN=C(N)N)C(=O)ON
InChIInChI=1S/C9H21N5O2/c1-2-4-9(12,7(15)16-13)5-3-6-14-8(10)11/h2-6,12-13H2,1H3,(H4,10,11,14)
InChIKeyHSNYBUMDYHJYCB-UHFFFAOYSA-N
MW231.30 g/mol
LogP-1.05
Rot. Bonds7

About amino 2-amino-5-(diaminomethylideneamino)-2-propylpentanoate

amino 2-amino-5-(diaminomethylideneamino)-2-propylpentanoate (PubChem CID 140586428) has the molecular formula C9H21N5O2 and a molecular weight of 231.30 g/mol. Its IUPAC name is amino 2-amino-5-(diaminomethylideneamino)-2-propylpentanoate.

Molecular Properties

Compound Nameamino 2-amino-5-(diaminomethylideneamino)-2-propylpentanoate
PubChem CID140586428
Molecular FormulaC9H21N5O2
Molecular Weight231.30 g/mol
Exact Mass231.17
IUPAC Nameamino 2-amino-5-(diaminomethylideneamino)-2-propylpentanoate
SMILESCCCC(N)(CCCN=C(N)N)C(=O)ON
InChIInChI=1S/C9H21N5O2/c1-2-4-9(12,7(15)16-13)5-3-6-14-8(10)11/h2-6,12-13H2,1H3,(H4,10,11,14)
InChIKeyHSNYBUMDYHJYCB-UHFFFAOYSA-N
XLogP-1.05
TPSA142.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-1.05
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

(2S)-2-amino-5-(diaminomethylideneamino)-2-ethylpentanoic acid
CID 144859243
(2R)-2-amino-2-[3-(diaminomethylideneamino)propyl]-3-oxoheptanoic acid
CID 175056196
methyl 2-amino-2-butylhexanoate;hydrochloride
CID 162216697
ethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride
CID 45073230
oxalic acid;2-tetradecylguanidine
CID 88685065
2-amino-2-[3-(diaminomethylideneamino)propyl]-3-hydroxy-3-methylbutanedioic acid
CID 172565564
(2R)-2-amino-2-[3-(diaminomethylideneamino)propyl]-4-ethyl-3-oxooctanoic acid
CID 149437110
ethyl (2R)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 10130416
[(2R)-2-amino-1,1-dibutoxy-5-(diaminomethylideneamino)pentan-2-yl] hydrogen sulfate
CID 57076759
ethyl 2-amino-5-(diaminomethylideneamino)pentanoate;dihydrate
CID 175283381
methyl 2-amino-2-ethylpentanoate
CID 88885307
2-(6-oxohenicosyl)guanidine
CID 163454706

Frequently Asked Questions

What is the IUPAC name of amino 2-amino-5-(diaminomethylideneamino)-2-propylpentanoate?
The IUPAC name of amino 2-amino-5-(diaminomethylideneamino)-2-propylpentanoate (CID 140586428) is amino 2-amino-5-(diaminomethylideneamino)-2-propylpentanoate.
What is the SMILES notation for amino 2-amino-5-(diaminomethylideneamino)-2-propylpentanoate?
The canonical SMILES for amino 2-amino-5-(diaminomethylideneamino)-2-propylpentanoate is CCCC(N)(CCCN=C(N)N)C(=O)ON.
What is the InChIKey of amino 2-amino-5-(diaminomethylideneamino)-2-propylpentanoate?
The InChIKey is HSNYBUMDYHJYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N5O2/c1-2-4-9(12,7(15)16-13)5-3-6-14-8(10)11/h2-6,12-13H2,1H3,(H4,10,11,14).
What are the key properties of amino 2-amino-5-(diaminomethylideneamino)-2-propylpentanoate?
amino 2-amino-5-(diaminomethylideneamino)-2-propylpentanoate has a molecular weight of 231.30 g/mol, XLogP of -1.05, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-amino-5-(diaminomethylideneamino)-2-propylpentanoate is sourced from PubChem (CID 140586428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).