N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide

C12H21F3N2 — CID 63176844

IUPACN-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide
SMILES[H]/N=C(\C1CCCCC1)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C12H21F3N2/c1-9(2)17(8-12(13,14)15)11(16)10-6-4-3-5-7-10/h9-10,16H,3-8H2,1-2H3/b16-11+
InChIKeyJDPHMVSROZVJGS-LFIBNONCSA-N
MW250.31 g/mol
LogP3.82
Rot. Bonds3

About N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide

N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide (PubChem CID 63176844) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide.

Molecular Properties

Compound NameN-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide
PubChem CID63176844
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC NameN-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide
SMILES[H]/N=C(\C1CCCCC1)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C12H21F3N2/c1-9(2)17(8-12(13,14)15)11(16)10-6-4-3-5-7-10/h9-10,16H,3-8H2,1-2H3/b16-11+
InChIKeyJDPHMVSROZVJGS-LFIBNONCSA-N
XLogP3.82
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.82
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide?
The IUPAC name of N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide (CID 63176844) is N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide.
What is the SMILES notation for N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide?
The canonical SMILES for N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide is [H]/N=C(\C1CCCCC1)N(CC(F)(F)F)C(C)C.
What is the InChIKey of N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide?
The InChIKey is JDPHMVSROZVJGS-LFIBNONCSA-N. The full InChI is InChI=1S/C12H21F3N2/c1-9(2)17(8-12(13,14)15)11(16)10-6-4-3-5-7-10/h9-10,16H,3-8H2,1-2H3/b16-11+.
What are the key properties of N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide?
N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide has a molecular weight of 250.31 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide is sourced from PubChem (CID 63176844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).