N'-[N-amino-N-[3-(dimethylamino)propyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide

C8H17F3N6 — CID 144894462

IUPACN'-[N-amino-N-[3-(dimethylamino)propyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide
SMILES[H]/N=C(/N=C(\N)C(F)(F)F)N(N)CCCN(C)C
InChIInChI=1S/C8H17F3N6/c1-16(2)4-3-5-17(14)7(13)15-6(12)8(9,10)11/h3-5,14H2,1-2H3,(H3,12,13,15)
InChIKeyCYZOXPWCBNDUNF-UHFFFAOYSA-N
MW254.26 g/mol
LogP-0.03
Rot. Bonds4

About N'-[N-amino-N-[3-(dimethylamino)propyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide

N'-[N-amino-N-[3-(dimethylamino)propyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide (PubChem CID 144894462) has the molecular formula C8H17F3N6 and a molecular weight of 254.26 g/mol. Its IUPAC name is N'-[N-amino-N-[3-(dimethylamino)propyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide.

Molecular Properties

Compound NameN'-[N-amino-N-[3-(dimethylamino)propyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide
PubChem CID144894462
Molecular FormulaC8H17F3N6
Molecular Weight254.26 g/mol
Exact Mass254.15
IUPAC NameN'-[N-amino-N-[3-(dimethylamino)propyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide
SMILES[H]/N=C(/N=C(\N)C(F)(F)F)N(N)CCCN(C)C
InChIInChI=1S/C8H17F3N6/c1-16(2)4-3-5-17(14)7(13)15-6(12)8(9,10)11/h3-5,14H2,1-2H3,(H3,12,13,15)
InChIKeyCYZOXPWCBNDUNF-UHFFFAOYSA-N
XLogP-0.03
TPSA94.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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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Related Compounds

N'-[N-amino-N-(2-methylpropyl)carbamimidoyl]-2,2,2-trifluoroethanimidamide;ethane
CID 144561770
N'-[N-amino-N-[3-(methylamino)propyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide;ethane
CID 144894441
N'-[N-amino-N-[2-(dimethylamino)ethyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide
CID 144894450
N-[N-amino-N-[3-(methylamino)propyl]carbamimidoyl]-2,2,2-trifluoro-N'-methylethanimidamide
CID 176547139
3-Amino-1-methyl-2-propyl-1-(3,3,3-trifluoropropyl)guanidine
CID 104887039
N'-[N-amino-N-(2-methylpropyl)carbamimidoyl]-2,2,2-trifluoroethanimidamide
CID 144561771
N'-[N-amino-N-[3-(methylamino)propyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide
CID 144894442
N-[amino-[amino-[3-(methylamino)propyl]amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide
CID 148972215

Frequently Asked Questions

What is the IUPAC name of N'-[N-amino-N-[3-(dimethylamino)propyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide?
The IUPAC name of N'-[N-amino-N-[3-(dimethylamino)propyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide (CID 144894462) is N'-[N-amino-N-[3-(dimethylamino)propyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide.
What is the SMILES notation for N'-[N-amino-N-[3-(dimethylamino)propyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide?
The canonical SMILES for N'-[N-amino-N-[3-(dimethylamino)propyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide is [H]/N=C(/N=C(\N)C(F)(F)F)N(N)CCCN(C)C.
What is the InChIKey of N'-[N-amino-N-[3-(dimethylamino)propyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide?
The InChIKey is CYZOXPWCBNDUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N6/c1-16(2)4-3-5-17(14)7(13)15-6(12)8(9,10)11/h3-5,14H2,1-2H3,(H3,12,13,15).
What are the key properties of N'-[N-amino-N-[3-(dimethylamino)propyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide?
N'-[N-amino-N-[3-(dimethylamino)propyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide has a molecular weight of 254.26 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N-amino-N-[3-(dimethylamino)propyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide is sourced from PubChem (CID 144894462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).