2-amino-5-[[amino(nitramido)methylidene]amino]pentanamide

C6H14N6O3 — CID 14179321

IUPAC2-amino-5-[[amino(nitramido)methylidene]amino]pentanamide
SMILESNC(=O)C(N)CCC/N=C(\N)N[N+](=O)[O-]
InChIInChI=1S/C6H14N6O3/c7-4(5(8)13)2-1-3-10-6(9)11-12(14)15/h4H,1-3,7H2,(H2,8,13)(H3,9,10,11)
InChIKeyBUSHIXDXHSGLAB-UHFFFAOYSA-N
MW218.22 g/mol
LogP-2.32
Rot. Bonds6

About 2-amino-5-[[amino(nitramido)methylidene]amino]pentanamide

2-amino-5-[[amino(nitramido)methylidene]amino]pentanamide (PubChem CID 14179321) has the molecular formula C6H14N6O3 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-amino-5-[[amino(nitramido)methylidene]amino]pentanamide.

Molecular Properties

Compound Name2-amino-5-[[amino(nitramido)methylidene]amino]pentanamide
PubChem CID14179321
Molecular FormulaC6H14N6O3
Molecular Weight218.22 g/mol
Exact Mass218.11
IUPAC Name2-amino-5-[[amino(nitramido)methylidene]amino]pentanamide
SMILESNC(=O)C(N)CCC/N=C(\N)N[N+](=O)[O-]
InChIInChI=1S/C6H14N6O3/c7-4(5(8)13)2-1-3-10-6(9)11-12(14)15/h4H,1-3,7H2,(H2,8,13)(H3,9,10,11)
InChIKeyBUSHIXDXHSGLAB-UHFFFAOYSA-N
XLogP-2.32
TPSA162.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 5-2.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-5-[[amino(nitramido)methylidene]amino]-N-methylpentanamide
CID 154445908
(2S)-2-amino-5-[[amino(nitramido)methylidene]amino]-N-[(2R)-1,4-diamino-1-oxobutan-2-yl]pentanamide
CID 46936229
(2S)-2-amino-5-[(1-amino-2-nitroethylidene)amino]pentanamide
CID 173187265
2-amino-5-[[amino(nitramido)methylidene]amino]-N,N-diheptylpentanamide
CID 135364274
(2S)-5-[[amino(nitramido)methylidene]amino]-2-(methylamino)pentanoic acid;hydrochloride
CID 170844430
(2S)-2-amino-5-[[amino(nitramido)methylidene]amino]-N-[(1R)-1-dimethylboranyl-3-methylbutyl]pentanamide
CID 58864975
(2S,4R)-4-amino-1-[(2R)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoyl]pyrrolidine-2-carboxamide
CID 73354378
(2S)-4-[[(2S)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoyl]amino]pyrrolidine-2-carboxamide
CID 10065208
4-[4-[(2S)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoyl]piperazin-1-yl]butanoic acid
CID 160689363
methyl (2S)-2-[[(2R)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoyl]amino]-3-phenylpropanoate
CID 10523811
2-(4-amino-5-anilinopentyl)-1-nitroguanidine
CID 23523613
(2S)-2-amino-5-[[amino-[(1-carboxy-2-nitroethyl)amino]methylidene]amino]pentanoic acid
CID 21120411

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[[amino(nitramido)methylidene]amino]pentanamide?
The IUPAC name of 2-amino-5-[[amino(nitramido)methylidene]amino]pentanamide (CID 14179321) is 2-amino-5-[[amino(nitramido)methylidene]amino]pentanamide.
What is the SMILES notation for 2-amino-5-[[amino(nitramido)methylidene]amino]pentanamide?
The canonical SMILES for 2-amino-5-[[amino(nitramido)methylidene]amino]pentanamide is NC(=O)C(N)CCC/N=C(\N)N[N+](=O)[O-].
What is the InChIKey of 2-amino-5-[[amino(nitramido)methylidene]amino]pentanamide?
The InChIKey is BUSHIXDXHSGLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N6O3/c7-4(5(8)13)2-1-3-10-6(9)11-12(14)15/h4H,1-3,7H2,(H2,8,13)(H3,9,10,11).
What are the key properties of 2-amino-5-[[amino(nitramido)methylidene]amino]pentanamide?
2-amino-5-[[amino(nitramido)methylidene]amino]pentanamide has a molecular weight of 218.22 g/mol, XLogP of -2.32, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[[amino(nitramido)methylidene]amino]pentanamide is sourced from PubChem (CID 14179321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).