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

C26H54N4O2 — CID 177260030

IUPAC5-(diaminomethylideneamino)-2-(didecylamino)pentanoic acid
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(CCCN=C(N)N)C(=O)O
InChIInChI=1S/C26H54N4O2/c1-3-5-7-9-11-13-15-17-22-30(23-18-16-14-12-10-8-6-4-2)24(25(31)32)20-19-21-29-26(27)28/h24H,3-23H2,1-2H3,(H,31,32)(H4,27,28,29)
InChIKeyYXFOQZJEWXYUQX-UHFFFAOYSA-N
MW454.74 g/mol
LogP6.08
Rot. Bonds24

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

5-(diaminomethylideneamino)-2-(didecylamino)pentanoic acid (PubChem CID 177260030) has the molecular formula C26H54N4O2 and a molecular weight of 454.74 g/mol. Its IUPAC name is 5-(diaminomethylideneamino)-2-(didecylamino)pentanoic acid.

Molecular Properties

Compound Name5-(diaminomethylideneamino)-2-(didecylamino)pentanoic acid
PubChem CID177260030
Molecular FormulaC26H54N4O2
Molecular Weight454.74 g/mol
Exact Mass454.42
IUPAC Name5-(diaminomethylideneamino)-2-(didecylamino)pentanoic acid
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(CCCN=C(N)N)C(=O)O
InChIInChI=1S/C26H54N4O2/c1-3-5-7-9-11-13-15-17-22-30(23-18-16-14-12-10-8-6-4-2)24(25(31)32)20-19-21-29-26(27)28/h24H,3-23H2,1-2H3,(H,31,32)(H4,27,28,29)
InChIKeyYXFOQZJEWXYUQX-UHFFFAOYSA-N
XLogP6.08
TPSA104.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.74
LogP ≤ 56.08
H-Bond Donors ≤ 53
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)-2-[bis[3-(2-hydroxyoctadecan-3-yloxy)propyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 57172483
(2S)-2-[bis(2-hydroxyethyl)amino]-5-(diaminomethylideneamino)pentanoic acid
CID 87394286
2-(didecylamino)pentanoic acid
CID 101314079
2-[di(tridecyl)amino]pentanoic acid
CID 101314139
(2R)-6-(diaminomethylideneamino)-2-(diethylamino)hexanoic acid
CID 18391752
(2S)-2-[amino(pentyl)amino]-5-(diaminomethylideneamino)pentanoic acid;2-chloroacetaldehyde
CID 175320092
(2S)-5-amino-2-[butyl(dodecyl)amino]-5-oxopentanoic acid
CID 150171158
CID 175857713
CID 175857713
(2S)-6-amino-2-(dipentylamino)hexanoic acid
CID 57295047
2-[carboxy(ethyl)amino]-5-(diaminomethylideneamino)pentanoic acid
CID 87725299
ethyl 5-(diaminomethylideneamino)-2-[pentyl(prop-2-enyl)amino]pentanoate
CID 174685650
(2R)-5-(diaminomethylideneamino)-2-[hydroxy(methyl)amino]pentanoic acid
CID 57242518

Frequently Asked Questions

What is the IUPAC name of 5-(diaminomethylideneamino)-2-(didecylamino)pentanoic acid?
The IUPAC name of 5-(diaminomethylideneamino)-2-(didecylamino)pentanoic acid (CID 177260030) is 5-(diaminomethylideneamino)-2-(didecylamino)pentanoic acid.
What is the SMILES notation for 5-(diaminomethylideneamino)-2-(didecylamino)pentanoic acid?
The canonical SMILES for 5-(diaminomethylideneamino)-2-(didecylamino)pentanoic acid is CCCCCCCCCCN(CCCCCCCCCC)C(CCCN=C(N)N)C(=O)O.
What is the InChIKey of 5-(diaminomethylideneamino)-2-(didecylamino)pentanoic acid?
The InChIKey is YXFOQZJEWXYUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54N4O2/c1-3-5-7-9-11-13-15-17-22-30(23-18-16-14-12-10-8-6-4-2)24(25(31)32)20-19-21-29-26(27)28/h24H,3-23H2,1-2H3,(H,31,32)(H4,27,28,29).
What are the key properties of 5-(diaminomethylideneamino)-2-(didecylamino)pentanoic acid?
5-(diaminomethylideneamino)-2-(didecylamino)pentanoic acid has a molecular weight of 454.74 g/mol, XLogP of 6.08, 24 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diaminomethylideneamino)-2-(didecylamino)pentanoic acid is sourced from PubChem (CID 177260030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).