2-amino-N-[1-[(1-amino-1-oxopentan-2-yl)amino]-1-oxobutan-2-yl]-4-methylpentanamide;(Z)-2-(methylideneamino)ethenamine

C18H36N6O3 — CID 143290521

IUPAC2-amino-N-[1-[(1-amino-1-oxopentan-2-yl)amino]-1-oxobutan-2-yl]-4-methylpentanamide;(Z)-2-(methylideneamino)ethenamine
SMILESC=N/C=C\N.CCCC(NC(=O)C(CC)NC(=O)C(N)CC(C)C)C(N)=O
InChIInChI=1S/C15H30N4O3.C3H6N2/c1-5-7-12(13(17)20)19-15(22)11(6-2)18-14(21)10(16)8-9(3)4;1-5-3-2-4/h9-12H,5-8,16H2,1-4H3,(H2,17,20)(H,18,21)(H,19,22);2-3H,1,4H2/b;3-2-
InChIKeyPWEYGHCYLWQOFK-AHNKWOMYSA-N
MW384.53 g/mol
LogP0.14
Rot. Bonds11

About 2-amino-N-[1-[(1-amino-1-oxopentan-2-yl)amino]-1-oxobutan-2-yl]-4-methylpentanamide;(Z)-2-(methylideneamino)ethenamine

2-amino-N-[1-[(1-amino-1-oxopentan-2-yl)amino]-1-oxobutan-2-yl]-4-methylpentanamide;(Z)-2-(methylideneamino)ethenamine (PubChem CID 143290521) has the molecular formula C18H36N6O3 and a molecular weight of 384.53 g/mol. Its IUPAC name is 2-amino-N-[1-[(1-amino-1-oxopentan-2-yl)amino]-1-oxobutan-2-yl]-4-methylpentanamide;(Z)-2-(methylideneamino)ethenamine.

Molecular Properties

Compound Name2-amino-N-[1-[(1-amino-1-oxopentan-2-yl)amino]-1-oxobutan-2-yl]-4-methylpentanamide;(Z)-2-(methylideneamino)ethenamine
PubChem CID143290521
Molecular FormulaC18H36N6O3
Molecular Weight384.53 g/mol
Exact Mass384.28
IUPAC Name2-amino-N-[1-[(1-amino-1-oxopentan-2-yl)amino]-1-oxobutan-2-yl]-4-methylpentanamide;(Z)-2-(methylideneamino)ethenamine
SMILESC=N/C=C\N.CCCC(NC(=O)C(CC)NC(=O)C(N)CC(C)C)C(N)=O
InChIInChI=1S/C15H30N4O3.C3H6N2/c1-5-7-12(13(17)20)19-15(22)11(6-2)18-14(21)10(16)8-9(3)4;1-5-3-2-4/h9-12H,5-8,16H2,1-4H3,(H2,17,20)(H,18,21)(H,19,22);2-3H,1,4H2/b;3-2-
InChIKeyPWEYGHCYLWQOFK-AHNKWOMYSA-N
XLogP0.14
TPSA165.69 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 50.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[(1-amino-1-oxopentan-2-yl)amino]-1-oxobutan-2-yl]-4-methylpentanamide;(Z)-2-(methylideneamino)ethenamine?
The IUPAC name of 2-amino-N-[1-[(1-amino-1-oxopentan-2-yl)amino]-1-oxobutan-2-yl]-4-methylpentanamide;(Z)-2-(methylideneamino)ethenamine (CID 143290521) is 2-amino-N-[1-[(1-amino-1-oxopentan-2-yl)amino]-1-oxobutan-2-yl]-4-methylpentanamide;(Z)-2-(methylideneamino)ethenamine.
What is the SMILES notation for 2-amino-N-[1-[(1-amino-1-oxopentan-2-yl)amino]-1-oxobutan-2-yl]-4-methylpentanamide;(Z)-2-(methylideneamino)ethenamine?
The canonical SMILES for 2-amino-N-[1-[(1-amino-1-oxopentan-2-yl)amino]-1-oxobutan-2-yl]-4-methylpentanamide;(Z)-2-(methylideneamino)ethenamine is C=N/C=C\N.CCCC(NC(=O)C(CC)NC(=O)C(N)CC(C)C)C(N)=O.
What is the InChIKey of 2-amino-N-[1-[(1-amino-1-oxopentan-2-yl)amino]-1-oxobutan-2-yl]-4-methylpentanamide;(Z)-2-(methylideneamino)ethenamine?
The InChIKey is PWEYGHCYLWQOFK-AHNKWOMYSA-N. The full InChI is InChI=1S/C15H30N4O3.C3H6N2/c1-5-7-12(13(17)20)19-15(22)11(6-2)18-14(21)10(16)8-9(3)4;1-5-3-2-4/h9-12H,5-8,16H2,1-4H3,(H2,17,20)(H,18,21)(H,19,22);2-3H,1,4H2/b;3-2-.
What are the key properties of 2-amino-N-[1-[(1-amino-1-oxopentan-2-yl)amino]-1-oxobutan-2-yl]-4-methylpentanamide;(Z)-2-(methylideneamino)ethenamine?
2-amino-N-[1-[(1-amino-1-oxopentan-2-yl)amino]-1-oxobutan-2-yl]-4-methylpentanamide;(Z)-2-(methylideneamino)ethenamine has a molecular weight of 384.53 g/mol, XLogP of 0.14, 11 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[(1-amino-1-oxopentan-2-yl)amino]-1-oxobutan-2-yl]-4-methylpentanamide;(Z)-2-(methylideneamino)ethenamine is sourced from PubChem (CID 143290521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).