N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-methylprop-2-enamide

C10H18N4O2 — CID 173435673

IUPACN-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C=O)CCCN=C(N)N
InChIInChI=1S/C10H18N4O2/c1-7(2)9(16)14-8(6-15)4-3-5-13-10(11)12/h6,8H,1,3-5H2,2H3,(H,14,16)(H4,11,12,13)
InChIKeyFGFZWAJMWKMGOY-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.70
Rot. Bonds7

About N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-methylprop-2-enamide

N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-methylprop-2-enamide (PubChem CID 173435673) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-methylprop-2-enamide
PubChem CID173435673
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC NameN-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C=O)CCCN=C(N)N
InChIInChI=1S/C10H18N4O2/c1-7(2)9(16)14-8(6-15)4-3-5-13-10(11)12/h6,8H,1,3-5H2,2H3,(H,14,16)(H4,11,12,13)
InChIKeyFGFZWAJMWKMGOY-UHFFFAOYSA-N
XLogP-0.70
TPSA110.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2,2-dimethylpropanamide
CID 89004311
(2R)-2-acetamido-5-(diaminomethylideneamino)-N-[(2R)-5-(diaminomethylideneamino)-1-[[(2R)-5-(diaminomethylideneamino)-1-[[(2R)-5-(diaminomethylideneamino)-1-[[(2R)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide
CID 173209218
(2R)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide
CID 20610969
2-amino-5-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide
CID 18755169
2-[(4S)-4-(3-methylbutan-2-ylamino)-5-oxopentyl]guanidine
CID 118214123
(2R)-2-acetamido-6-(diaminomethylideneamino)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]hexanamide
CID 59958587
(2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide
CID 173062657
2-amino-5-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide
CID 88888692
(2R)-2-acetamido-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[deuterio-[(2R)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-5-(diaminomethylideneamino)pentanamide
CID 91039976
2-amino-N-[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-3-methylpentanamide
CID 121434353
(2S)-2-amino-N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanediamide
CID 173162221
(2S)-2-[[(2S)-2-acetamido-4-methylsulfanylbutanoyl]amino]-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide
CID 166930416

Frequently Asked Questions

What is the IUPAC name of N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-methylprop-2-enamide?
The IUPAC name of N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-methylprop-2-enamide (CID 173435673) is N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-methylprop-2-enamide?
The canonical SMILES for N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-methylprop-2-enamide is C=C(C)C(=O)NC(C=O)CCCN=C(N)N.
What is the InChIKey of N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-methylprop-2-enamide?
The InChIKey is FGFZWAJMWKMGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-7(2)9(16)14-8(6-15)4-3-5-13-10(11)12/h6,8H,1,3-5H2,2H3,(H,14,16)(H4,11,12,13).
What are the key properties of N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-methylprop-2-enamide?
N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-methylprop-2-enamide has a molecular weight of 226.28 g/mol, XLogP of -0.70, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-methylprop-2-enamide is sourced from PubChem (CID 173435673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).