6-amino-N-(2-amino-2-oxoethyl)-4-methylidene-2-(2-methylpropyl)hexanamide

C13H25N3O2 — CID 90253936

IUPAC6-amino-N-(2-amino-2-oxoethyl)-4-methylidene-2-(2-methylpropyl)hexanamide
SMILESC=C(CCN)CC(CC(C)C)C(=O)NCC(N)=O
InChIInChI=1S/C13H25N3O2/c1-9(2)6-11(7-10(3)4-5-14)13(18)16-8-12(15)17/h9,11H,3-8,14H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeySKMLTNCLODDWBE-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.55
Rot. Bonds9

About 6-amino-N-(2-amino-2-oxoethyl)-4-methylidene-2-(2-methylpropyl)hexanamide

6-amino-N-(2-amino-2-oxoethyl)-4-methylidene-2-(2-methylpropyl)hexanamide (PubChem CID 90253936) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 6-amino-N-(2-amino-2-oxoethyl)-4-methylidene-2-(2-methylpropyl)hexanamide.

Molecular Properties

Compound Name6-amino-N-(2-amino-2-oxoethyl)-4-methylidene-2-(2-methylpropyl)hexanamide
PubChem CID90253936
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name6-amino-N-(2-amino-2-oxoethyl)-4-methylidene-2-(2-methylpropyl)hexanamide
SMILESC=C(CCN)CC(CC(C)C)C(=O)NCC(N)=O
InChIInChI=1S/C13H25N3O2/c1-9(2)6-11(7-10(3)4-5-14)13(18)16-8-12(15)17/h9,11H,3-8,14H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeySKMLTNCLODDWBE-UHFFFAOYSA-N
XLogP0.55
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4-methylpentanamide
CID 115738674
(2R)-N-(2-amino-2-oxoethyl)-5-(4-bromophenyl)-2-(2-methylpropyl)-4-oxopentanamide
CID 152833510
4-amino-N-(2-amino-2-oxoethyl)-2-methylbutanamide
CID 80541244
N-(2-amino-2-oxoethyl)-4-methyl-2-(propanoylamino)pentanamide;ethanamine;ethane
CID 170598149
(2S)-N-(2-amino-2-oxoethyl)-2-formamido-4-methylpentanamide
CID 163530285
(2R)-5-amino-N-(2-amino-2-oxoethyl)-4-oxo-2-(sulfanylmethyl)pentanamide
CID 177422147
(2R)-2-(2-methylpropyl)butanediamide
CID 22942178
N-[1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide
CID 22099199
N-(2-amino-2-oxoethyl)-2,3,3-trimethylbutanamide
CID 143641947
acetic acid;(2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide
CID 88648065
2-(aminomethyl)-N-[3-(ethylamino)-3-oxopropyl]-4-methylpentanamide
CID 113410027
(2S)-N-(2-amino-2-oxoethyl)-2-(propanoylamino)propanamide
CID 138691369

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-amino-2-oxoethyl)-4-methylidene-2-(2-methylpropyl)hexanamide?
The IUPAC name of 6-amino-N-(2-amino-2-oxoethyl)-4-methylidene-2-(2-methylpropyl)hexanamide (CID 90253936) is 6-amino-N-(2-amino-2-oxoethyl)-4-methylidene-2-(2-methylpropyl)hexanamide.
What is the SMILES notation for 6-amino-N-(2-amino-2-oxoethyl)-4-methylidene-2-(2-methylpropyl)hexanamide?
The canonical SMILES for 6-amino-N-(2-amino-2-oxoethyl)-4-methylidene-2-(2-methylpropyl)hexanamide is C=C(CCN)CC(CC(C)C)C(=O)NCC(N)=O.
What is the InChIKey of 6-amino-N-(2-amino-2-oxoethyl)-4-methylidene-2-(2-methylpropyl)hexanamide?
The InChIKey is SKMLTNCLODDWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-9(2)6-11(7-10(3)4-5-14)13(18)16-8-12(15)17/h9,11H,3-8,14H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of 6-amino-N-(2-amino-2-oxoethyl)-4-methylidene-2-(2-methylpropyl)hexanamide?
6-amino-N-(2-amino-2-oxoethyl)-4-methylidene-2-(2-methylpropyl)hexanamide has a molecular weight of 255.36 g/mol, XLogP of 0.55, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-amino-2-oxoethyl)-4-methylidene-2-(2-methylpropyl)hexanamide is sourced from PubChem (CID 90253936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).