N-(1-amino-2-methylpropylidene)-3,3-difluorobutanimidamide

C8H15F2N3 — CID 170268144

IUPACN-(1-amino-2-methylpropylidene)-3,3-difluorobutanimidamide
SMILES[H]/N=C(CC(C)(F)F)\N=C(\N)C(C)C
InChIInChI=1S/C8H15F2N3/c1-5(2)7(12)13-6(11)4-8(3,9)10/h5H,4H2,1-3H3,(H3,11,12,13)
InChIKeyUPOBCISVYMSPTI-UHFFFAOYSA-N
MW191.22 g/mol
LogP2.02
Rot. Bonds3

About N-(1-amino-2-methylpropylidene)-3,3-difluorobutanimidamide

N-(1-amino-2-methylpropylidene)-3,3-difluorobutanimidamide (PubChem CID 170268144) has the molecular formula C8H15F2N3 and a molecular weight of 191.22 g/mol. Its IUPAC name is N-(1-amino-2-methylpropylidene)-3,3-difluorobutanimidamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropylidene)-3,3-difluorobutanimidamide
PubChem CID170268144
Molecular FormulaC8H15F2N3
Molecular Weight191.22 g/mol
Exact Mass191.12
IUPAC NameN-(1-amino-2-methylpropylidene)-3,3-difluorobutanimidamide
SMILES[H]/N=C(CC(C)(F)F)\N=C(\N)C(C)C
InChIInChI=1S/C8H15F2N3/c1-5(2)7(12)13-6(11)4-8(3,9)10/h5H,4H2,1-3H3,(H3,11,12,13)
InChIKeyUPOBCISVYMSPTI-UHFFFAOYSA-N
XLogP2.02
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N'-(1,1,1-trifluoro-2-methylpropan-2-yl)propanimidamide
CID 130934515
4,4-difluoropentanimidamide
CID 84731110
5,5-difluoro-2-methylhexan-3-one
CID 88577617
N'-(2-methoxy-2-methylpropyl)-2-methylpropanimidamide
CID 104766079
2-methylpropanimidamide;hydrochloride
CID 2782053
(E)-5,5-difluoro-4-iminohex-2-en-2-amine
CID 126727631
N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrate
CID 172821400
2-amino-N-(diaminomethylidene)propanimidamide
CID 176533590
(E)-3-ethanimidoyl-4-methylpent-2-en-2-amine
CID 146526722
N'-propanimidoylpropanimidamide
CID 58804639
N'-[(Z)-1-amino-3-methylbut-1-en-2-yl]-2-methylpropanimidamide
CID 166933258
2-[[1-amino-1-[2-[(1-amino-2-methylpropylidene)amino]ethylimino]-2-methylpropan-2-yl]diazenyl]-N'-[2-[(1-amino-2-methylpropylidene)amino]ethyl]-2-methylpropanimidamide
CID 54095971

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropylidene)-3,3-difluorobutanimidamide?
The IUPAC name of N-(1-amino-2-methylpropylidene)-3,3-difluorobutanimidamide (CID 170268144) is N-(1-amino-2-methylpropylidene)-3,3-difluorobutanimidamide.
What is the SMILES notation for N-(1-amino-2-methylpropylidene)-3,3-difluorobutanimidamide?
The canonical SMILES for N-(1-amino-2-methylpropylidene)-3,3-difluorobutanimidamide is [H]/N=C(CC(C)(F)F)\N=C(\N)C(C)C.
What is the InChIKey of N-(1-amino-2-methylpropylidene)-3,3-difluorobutanimidamide?
The InChIKey is UPOBCISVYMSPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N3/c1-5(2)7(12)13-6(11)4-8(3,9)10/h5H,4H2,1-3H3,(H3,11,12,13).
What are the key properties of N-(1-amino-2-methylpropylidene)-3,3-difluorobutanimidamide?
N-(1-amino-2-methylpropylidene)-3,3-difluorobutanimidamide has a molecular weight of 191.22 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropylidene)-3,3-difluorobutanimidamide is sourced from PubChem (CID 170268144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).