5-(1-aminoethylideneamino)-N-(2-amino-2-oxoethyl)-2-methylpentanamide

C10H20N4O2 — CID 155415637

IUPAC5-(1-aminoethylideneamino)-N-(2-amino-2-oxoethyl)-2-methylpentanamide
SMILESC/C(N)=N\CCCC(C)C(=O)NCC(N)=O
InChIInChI=1S/C10H20N4O2/c1-7(4-3-5-13-8(2)11)10(16)14-6-9(12)15/h7H,3-6H2,1-2H3,(H2,11,13)(H2,12,15)(H,14,16)
InChIKeyOWUXCFLVKQMYJJ-UHFFFAOYSA-N
MW228.30 g/mol
LogP-0.62
Rot. Bonds7

About 5-(1-aminoethylideneamino)-N-(2-amino-2-oxoethyl)-2-methylpentanamide

5-(1-aminoethylideneamino)-N-(2-amino-2-oxoethyl)-2-methylpentanamide (PubChem CID 155415637) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-(1-aminoethylideneamino)-N-(2-amino-2-oxoethyl)-2-methylpentanamide.

Molecular Properties

Compound Name5-(1-aminoethylideneamino)-N-(2-amino-2-oxoethyl)-2-methylpentanamide
PubChem CID155415637
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name5-(1-aminoethylideneamino)-N-(2-amino-2-oxoethyl)-2-methylpentanamide
SMILESC/C(N)=N\CCCC(C)C(=O)NCC(N)=O
InChIInChI=1S/C10H20N4O2/c1-7(4-3-5-13-8(2)11)10(16)14-6-9(12)15/h7H,3-6H2,1-2H3,(H2,11,13)(H2,12,15)(H,14,16)
InChIKeyOWUXCFLVKQMYJJ-UHFFFAOYSA-N
XLogP-0.62
TPSA110.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-0.62
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)-N-(2-amino-2-oxoethyl)-5-(diaminomethylideneamino)-2-methylpentanamide
CID 147410146
(2R)-5-(1-aminoethylideneamino)-2-methylpentanoic acid
CID 90976628
4-amino-N-(2-amino-2-oxoethyl)-2-methylbutanamide
CID 80541244
5-(1-aminoethylideneamino)-2-(methylamino)-N-propylpentanamide
CID 159082319
6-(1-aminoethylideneamino)-2-methylhexanoic acid
CID 158122286
2-acetamido-5-(diaminomethylideneamino)-N-[2-[5-(diaminomethylideneamino)pentan-2-ylamino]-2-oxoethyl]pentanamide
CID 134188384
(2R,5S)-5-acetamido-8-(1-aminoethylideneamino)-N-[(4S,7R)-7-[[(4S,7R)-1,10-bis(diaminomethylideneamino)-7-[(3-methyl-2-oxobutyl)carbamoyl]-5-oxodecan-4-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanamide;(2R,5S)-5-acetamido-N-[(4S,7R)-7-[[(4S,7R)-1,10-bis(diaminomethylideneamino)-7-[(3-methyl-2-oxobutyl)carbamoyl]-5-oxodecan-4-yl]carbamoyl]-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanamide;methane
CID 158614427
[4-acetamido-5-[(2-amino-2-oxoethyl)amino]-5-oxopentyl]carbamic acid
CID 138591623
N-(2-amino-2-oxoethyl)-2,6-bis(methylamino)hexanamide
CID 58661389
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-6-(diaminomethylideneamino)-N-(2-oxopropyl)hexanamide
CID 154935462
acetic acid;(2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide
CID 88648065
2-[(4R)-4-(methylamino)-5-oxohexyl]guanidine
CID 59966003

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethylideneamino)-N-(2-amino-2-oxoethyl)-2-methylpentanamide?
The IUPAC name of 5-(1-aminoethylideneamino)-N-(2-amino-2-oxoethyl)-2-methylpentanamide (CID 155415637) is 5-(1-aminoethylideneamino)-N-(2-amino-2-oxoethyl)-2-methylpentanamide.
What is the SMILES notation for 5-(1-aminoethylideneamino)-N-(2-amino-2-oxoethyl)-2-methylpentanamide?
The canonical SMILES for 5-(1-aminoethylideneamino)-N-(2-amino-2-oxoethyl)-2-methylpentanamide is C/C(N)=N\CCCC(C)C(=O)NCC(N)=O.
What is the InChIKey of 5-(1-aminoethylideneamino)-N-(2-amino-2-oxoethyl)-2-methylpentanamide?
The InChIKey is OWUXCFLVKQMYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-7(4-3-5-13-8(2)11)10(16)14-6-9(12)15/h7H,3-6H2,1-2H3,(H2,11,13)(H2,12,15)(H,14,16).
What are the key properties of 5-(1-aminoethylideneamino)-N-(2-amino-2-oxoethyl)-2-methylpentanamide?
5-(1-aminoethylideneamino)-N-(2-amino-2-oxoethyl)-2-methylpentanamide has a molecular weight of 228.30 g/mol, XLogP of -0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethylideneamino)-N-(2-amino-2-oxoethyl)-2-methylpentanamide is sourced from PubChem (CID 155415637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).