2-amino-N-[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-3-methylpentanamide

C18H36N6O3 — CID 121434353

IUPAC2-amino-N-[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NC(C(=O)NC(C=O)CCCN=C(N)N)C(C)CC
InChIInChI=1S/C18H36N6O3/c1-5-11(3)14(19)16(26)24-15(12(4)6-2)17(27)23-13(10-25)8-7-9-22-18(20)21/h10-15H,5-9,19H2,1-4H3,(H,23,27)(H,24,26)(H4,20,21,22)
InChIKeyLOINJDDTEFEURU-UHFFFAOYSA-N
MW384.53 g/mol
LogP-0.37
Rot. Bonds13

About 2-amino-N-[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-3-methylpentanamide

2-amino-N-[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-3-methylpentanamide (PubChem CID 121434353) has the molecular formula C18H36N6O3 and a molecular weight of 384.53 g/mol. Its IUPAC name is 2-amino-N-[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-3-methylpentanamide
PubChem CID121434353
Molecular FormulaC18H36N6O3
Molecular Weight384.53 g/mol
Exact Mass384.28
IUPAC Name2-amino-N-[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NC(C(=O)NC(C=O)CCCN=C(N)N)C(C)CC
InChIInChI=1S/C18H36N6O3/c1-5-11(3)14(19)16(26)24-15(12(4)6-2)17(27)23-13(10-25)8-7-9-22-18(20)21/h10-15H,5-9,19H2,1-4H3,(H,23,27)(H,24,26)(H4,20,21,22)
InChIKeyLOINJDDTEFEURU-UHFFFAOYSA-N
XLogP-0.37
TPSA165.69 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 5-0.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[4-(4-hydroxyphenyl)butanoylamino]-3-methylpentanamide
CID 163112651
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-sulfanylpropanoic acid
CID 18295028
acetic acid;(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 90473494
2-amino-5-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide
CID 18755169
(2R)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide
CID 20610969
2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoic acid
CID 18745685
2-[[6-amino-2-[[2-[(2-amino-3-methylpentanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-methylpentanoic acid
CID 18501231
2-amino-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide;1,1-diethoxyethane
CID 87743939
(2S,3S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S,3S)-3-hydroxy-1-oxo-1-(2-oxoethylamino)butan-2-yl]-3-methylpentanamide
CID 91424643
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid
CID 22702086
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoic acid
CID 18297816
2-[[2-[[2-(2-aminopropanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoic acid
CID 18233165

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-3-methylpentanamide (CID 121434353) is 2-amino-N-[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-3-methylpentanamide is CCC(C)C(N)C(=O)NC(C(=O)NC(C=O)CCCN=C(N)N)C(C)CC.
What is the InChIKey of 2-amino-N-[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-3-methylpentanamide?
The InChIKey is LOINJDDTEFEURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N6O3/c1-5-11(3)14(19)16(26)24-15(12(4)6-2)17(27)23-13(10-25)8-7-9-22-18(20)21/h10-15H,5-9,19H2,1-4H3,(H,23,27)(H,24,26)(H4,20,21,22).
What are the key properties of 2-amino-N-[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-3-methylpentanamide?
2-amino-N-[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-3-methylpentanamide has a molecular weight of 384.53 g/mol, XLogP of -0.37, 13 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-3-methylpentanamide is sourced from PubChem (CID 121434353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).