2-amino-N-[5-(diaminomethylideneamino)-1,1-difluoropentan-2-yl]acetamide

C8H17F2N5O — CID 22752131

IUPAC2-amino-N-[5-(diaminomethylideneamino)-1,1-difluoropentan-2-yl]acetamide
SMILESNCC(=O)NC(CCCN=C(N)N)C(F)F
InChIInChI=1S/C8H17F2N5O/c9-7(10)5(15-6(16)4-11)2-1-3-14-8(12)13/h5,7H,1-4,11H2,(H,15,16)(H4,12,13,14)
InChIKeyNTKFHCYLDXIKLE-UHFFFAOYSA-N
MW237.25 g/mol
LogP-1.25
Rot. Bonds7

About 2-amino-N-[5-(diaminomethylideneamino)-1,1-difluoropentan-2-yl]acetamide

2-amino-N-[5-(diaminomethylideneamino)-1,1-difluoropentan-2-yl]acetamide (PubChem CID 22752131) has the molecular formula C8H17F2N5O and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-amino-N-[5-(diaminomethylideneamino)-1,1-difluoropentan-2-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[5-(diaminomethylideneamino)-1,1-difluoropentan-2-yl]acetamide
PubChem CID22752131
Molecular FormulaC8H17F2N5O
Molecular Weight237.25 g/mol
Exact Mass237.14
IUPAC Name2-amino-N-[5-(diaminomethylideneamino)-1,1-difluoropentan-2-yl]acetamide
SMILESNCC(=O)NC(CCCN=C(N)N)C(F)F
InChIInChI=1S/C8H17F2N5O/c9-7(10)5(15-6(16)4-11)2-1-3-14-8(12)13/h5,7H,1-4,11H2,(H,15,16)(H4,12,13,14)
InChIKeyNTKFHCYLDXIKLE-UHFFFAOYSA-N
XLogP-1.25
TPSA119.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-(diaminomethylideneamino)-1,1-difluoropentan-2-yl]acetamide?
The IUPAC name of 2-amino-N-[5-(diaminomethylideneamino)-1,1-difluoropentan-2-yl]acetamide (CID 22752131) is 2-amino-N-[5-(diaminomethylideneamino)-1,1-difluoropentan-2-yl]acetamide.
What is the SMILES notation for 2-amino-N-[5-(diaminomethylideneamino)-1,1-difluoropentan-2-yl]acetamide?
The canonical SMILES for 2-amino-N-[5-(diaminomethylideneamino)-1,1-difluoropentan-2-yl]acetamide is NCC(=O)NC(CCCN=C(N)N)C(F)F.
What is the InChIKey of 2-amino-N-[5-(diaminomethylideneamino)-1,1-difluoropentan-2-yl]acetamide?
The InChIKey is NTKFHCYLDXIKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2N5O/c9-7(10)5(15-6(16)4-11)2-1-3-14-8(12)13/h5,7H,1-4,11H2,(H,15,16)(H4,12,13,14).
What are the key properties of 2-amino-N-[5-(diaminomethylideneamino)-1,1-difluoropentan-2-yl]acetamide?
2-amino-N-[5-(diaminomethylideneamino)-1,1-difluoropentan-2-yl]acetamide has a molecular weight of 237.25 g/mol, XLogP of -1.25, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-(diaminomethylideneamino)-1,1-difluoropentan-2-yl]acetamide is sourced from PubChem (CID 22752131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).