5-(diaminomethylideneamino)-2-(hexylamino)pentanoic acid

C12H26N4O2 — CID 19382481

IUPAC5-(diaminomethylideneamino)-2-(hexylamino)pentanoic acid
SMILESCCCCCCNC(CCCN=C(N)N)C(=O)O
InChIInChI=1S/C12H26N4O2/c1-2-3-4-5-8-15-10(11(17)18)7-6-9-16-12(13)14/h10,15H,2-9H2,1H3,(H,17,18)(H4,13,14,16)
InChIKeyDSEDTAAGURLFNZ-UHFFFAOYSA-N
MW258.37 g/mol
LogP0.66
Rot. Bonds11

About 5-(diaminomethylideneamino)-2-(hexylamino)pentanoic acid

5-(diaminomethylideneamino)-2-(hexylamino)pentanoic acid (PubChem CID 19382481) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 5-(diaminomethylideneamino)-2-(hexylamino)pentanoic acid.

Molecular Properties

Compound Name5-(diaminomethylideneamino)-2-(hexylamino)pentanoic acid
PubChem CID19382481
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC Name5-(diaminomethylideneamino)-2-(hexylamino)pentanoic acid
SMILESCCCCCCNC(CCCN=C(N)N)C(=O)O
InChIInChI=1S/C12H26N4O2/c1-2-3-4-5-8-15-10(11(17)18)7-6-9-16-12(13)14/h10,15H,2-9H2,1H3,(H,17,18)(H4,13,14,16)
InChIKeyDSEDTAAGURLFNZ-UHFFFAOYSA-N
XLogP0.66
TPSA113.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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)-5-(diaminomethylideneamino)-2-(pentylamino)pentanoic acid
CID 87921702
(2S)-5-(diaminomethylideneamino)-2-(hexadecylamino)pentanoic acid;phosphoric acid
CID 174589082
16-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]hexadecanoic acid
CID 91121577
2-(dodecylamino)hexanoic acid
CID 139637216
2-(pentylamino)octanoic acid
CID 129188286
(2S)-5-(diaminomethylideneamino)-2-(ethylamino)pentanoic acid;tetradecanal
CID 175413183
(2S)-5-amino-2-(octadecylamino)-5-oxopentanoic acid
CID 54197228
6-amino-2-(hexylamino)hexanoic acid
CID 87424914
(2S)-6-amino-2-(octylamino)hexanoic acid
CID 88516426
2-(dodecylamino)-6-isothiocyanatohexanoic acid
CID 169308286
(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid
CID 161367274
2-[2-(1-carboxynonylamino)ethylamino]decanoic acid
CID 86120299

Frequently Asked Questions

What is the IUPAC name of 5-(diaminomethylideneamino)-2-(hexylamino)pentanoic acid?
The IUPAC name of 5-(diaminomethylideneamino)-2-(hexylamino)pentanoic acid (CID 19382481) is 5-(diaminomethylideneamino)-2-(hexylamino)pentanoic acid.
What is the SMILES notation for 5-(diaminomethylideneamino)-2-(hexylamino)pentanoic acid?
The canonical SMILES for 5-(diaminomethylideneamino)-2-(hexylamino)pentanoic acid is CCCCCCNC(CCCN=C(N)N)C(=O)O.
What is the InChIKey of 5-(diaminomethylideneamino)-2-(hexylamino)pentanoic acid?
The InChIKey is DSEDTAAGURLFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-2-3-4-5-8-15-10(11(17)18)7-6-9-16-12(13)14/h10,15H,2-9H2,1H3,(H,17,18)(H4,13,14,16).
What are the key properties of 5-(diaminomethylideneamino)-2-(hexylamino)pentanoic acid?
5-(diaminomethylideneamino)-2-(hexylamino)pentanoic acid has a molecular weight of 258.37 g/mol, XLogP of 0.66, 11 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diaminomethylideneamino)-2-(hexylamino)pentanoic acid is sourced from PubChem (CID 19382481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).