2-[[(2R)-2-amino-5-(1-aminoethylideneamino)pentanoyl]amino]ethyl-diethyl-methylazanium

C14H32N5O+ — CID 58262502

IUPAC2-[[(2R)-2-amino-5-(1-aminoethylideneamino)pentanoyl]amino]ethyl-diethyl-methylazanium
SMILESCC[N+](C)(CC)CCNC(=O)[C@H](N)CCC/N=C(\C)N
InChIInChI=1S/C14H31N5O/c1-5-19(4,6-2)11-10-18-14(20)13(16)8-7-9-17-12(3)15/h13H,5-11,16H2,1-4H3,(H2-,15,17,18,20)/p+1/t13-/m1/s1
InChIKeyCJUWJERXPQMLBJ-CYBMUJFWSA-O
MW286.44 g/mol
LogP0.07
Rot. Bonds10

About 2-[[(2R)-2-amino-5-(1-aminoethylideneamino)pentanoyl]amino]ethyl-diethyl-methylazanium

2-[[(2R)-2-amino-5-(1-aminoethylideneamino)pentanoyl]amino]ethyl-diethyl-methylazanium (PubChem CID 58262502) has the molecular formula C14H32N5O+ and a molecular weight of 286.44 g/mol. Its IUPAC name is 2-[[(2R)-2-amino-5-(1-aminoethylideneamino)pentanoyl]amino]ethyl-diethyl-methylazanium.

Molecular Properties

Compound Name2-[[(2R)-2-amino-5-(1-aminoethylideneamino)pentanoyl]amino]ethyl-diethyl-methylazanium
PubChem CID58262502
Molecular FormulaC14H32N5O+
Molecular Weight286.44 g/mol
Exact Mass286.26
IUPAC Name2-[[(2R)-2-amino-5-(1-aminoethylideneamino)pentanoyl]amino]ethyl-diethyl-methylazanium
SMILESCC[N+](C)(CC)CCNC(=O)[C@H](N)CCC/N=C(\C)N
InChIInChI=1S/C14H31N5O/c1-5-19(4,6-2)11-10-18-14(20)13(16)8-7-9-17-12(3)15/h13H,5-11,16H2,1-4H3,(H2-,15,17,18,20)/p+1/t13-/m1/s1
InChIKeyCJUWJERXPQMLBJ-CYBMUJFWSA-O
XLogP0.07
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 50.07
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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-amino-5-(1-aminoethylideneamino)pentanoyl]amino]ethyl-diethyl-methylazanium?
The IUPAC name of 2-[[(2R)-2-amino-5-(1-aminoethylideneamino)pentanoyl]amino]ethyl-diethyl-methylazanium (CID 58262502) is 2-[[(2R)-2-amino-5-(1-aminoethylideneamino)pentanoyl]amino]ethyl-diethyl-methylazanium.
What is the SMILES notation for 2-[[(2R)-2-amino-5-(1-aminoethylideneamino)pentanoyl]amino]ethyl-diethyl-methylazanium?
The canonical SMILES for 2-[[(2R)-2-amino-5-(1-aminoethylideneamino)pentanoyl]amino]ethyl-diethyl-methylazanium is CC[N+](C)(CC)CCNC(=O)[C@H](N)CCC/N=C(\C)N.
What is the InChIKey of 2-[[(2R)-2-amino-5-(1-aminoethylideneamino)pentanoyl]amino]ethyl-diethyl-methylazanium?
The InChIKey is CJUWJERXPQMLBJ-CYBMUJFWSA-O. The full InChI is InChI=1S/C14H31N5O/c1-5-19(4,6-2)11-10-18-14(20)13(16)8-7-9-17-12(3)15/h13H,5-11,16H2,1-4H3,(H2-,15,17,18,20)/p+1/t13-/m1/s1.
What are the key properties of 2-[[(2R)-2-amino-5-(1-aminoethylideneamino)pentanoyl]amino]ethyl-diethyl-methylazanium?
2-[[(2R)-2-amino-5-(1-aminoethylideneamino)pentanoyl]amino]ethyl-diethyl-methylazanium has a molecular weight of 286.44 g/mol, XLogP of 0.07, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-amino-5-(1-aminoethylideneamino)pentanoyl]amino]ethyl-diethyl-methylazanium is sourced from PubChem (CID 58262502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).