N-[[amino-(morpholin-4-ylamino)methylidene]amino]-N-(diaminomethylideneamino)acetamide

C8H18N8O2 — CID 70379725

IUPACN-[[amino-(morpholin-4-ylamino)methylidene]amino]-N-(diaminomethylideneamino)acetamide
SMILESCC(=O)N(N=C(N)N)N=C(N)NN1CCOCC1
InChIInChI=1S/C8H18N8O2/c1-6(17)16(12-7(9)10)14-8(11)13-15-2-4-18-5-3-15/h2-5H2,1H3,(H4,9,10,12)(H3,11,13,14)
InChIKeyBICYYKCIVDQGFS-UHFFFAOYSA-N
MW258.29 g/mol
LogP-2.91
Rot. Bonds3

About N-[[amino-(morpholin-4-ylamino)methylidene]amino]-N-(diaminomethylideneamino)acetamide

N-[[amino-(morpholin-4-ylamino)methylidene]amino]-N-(diaminomethylideneamino)acetamide (PubChem CID 70379725) has the molecular formula C8H18N8O2 and a molecular weight of 258.29 g/mol. Its IUPAC name is N-[[amino-(morpholin-4-ylamino)methylidene]amino]-N-(diaminomethylideneamino)acetamide.

Molecular Properties

Compound NameN-[[amino-(morpholin-4-ylamino)methylidene]amino]-N-(diaminomethylideneamino)acetamide
PubChem CID70379725
Molecular FormulaC8H18N8O2
Molecular Weight258.29 g/mol
Exact Mass258.16
IUPAC NameN-[[amino-(morpholin-4-ylamino)methylidene]amino]-N-(diaminomethylideneamino)acetamide
SMILESCC(=O)N(N=C(N)N)N=C(N)NN1CCOCC1
InChIInChI=1S/C8H18N8O2/c1-6(17)16(12-7(9)10)14-8(11)13-15-2-4-18-5-3-15/h2-5H2,1H3,(H4,9,10,12)(H3,11,13,14)
InChIKeyBICYYKCIVDQGFS-UHFFFAOYSA-N
XLogP-2.91
TPSA147.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 5-2.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[amino-(morpholin-4-ylamino)methylidene]amino]-N-(diaminomethylideneamino)acetamide?
The IUPAC name of N-[[amino-(morpholin-4-ylamino)methylidene]amino]-N-(diaminomethylideneamino)acetamide (CID 70379725) is N-[[amino-(morpholin-4-ylamino)methylidene]amino]-N-(diaminomethylideneamino)acetamide.
What is the SMILES notation for N-[[amino-(morpholin-4-ylamino)methylidene]amino]-N-(diaminomethylideneamino)acetamide?
The canonical SMILES for N-[[amino-(morpholin-4-ylamino)methylidene]amino]-N-(diaminomethylideneamino)acetamide is CC(=O)N(N=C(N)N)N=C(N)NN1CCOCC1.
What is the InChIKey of N-[[amino-(morpholin-4-ylamino)methylidene]amino]-N-(diaminomethylideneamino)acetamide?
The InChIKey is BICYYKCIVDQGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N8O2/c1-6(17)16(12-7(9)10)14-8(11)13-15-2-4-18-5-3-15/h2-5H2,1H3,(H4,9,10,12)(H3,11,13,14).
What are the key properties of N-[[amino-(morpholin-4-ylamino)methylidene]amino]-N-(diaminomethylideneamino)acetamide?
N-[[amino-(morpholin-4-ylamino)methylidene]amino]-N-(diaminomethylideneamino)acetamide has a molecular weight of 258.29 g/mol, XLogP of -2.91, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[amino-(morpholin-4-ylamino)methylidene]amino]-N-(diaminomethylideneamino)acetamide is sourced from PubChem (CID 70379725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).