1-(aminomethyl)-N-(2,2-difluoroethyl)-N-ethyl-4-methylcyclohexan-1-amine

C12H24F2N2 — CID 62005456

IUPAC1-(aminomethyl)-N-(2,2-difluoroethyl)-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCN(CC(F)F)C1(CN)CCC(C)CC1
InChIInChI=1S/C12H24F2N2/c1-3-16(8-11(13)14)12(9-15)6-4-10(2)5-7-12/h10-11H,3-9,15H2,1-2H3
InChIKeyMLXMWPIYSZUERM-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.48
Rot. Bonds5

About 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-ethyl-4-methylcyclohexan-1-amine

1-(aminomethyl)-N-(2,2-difluoroethyl)-N-ethyl-4-methylcyclohexan-1-amine (PubChem CID 62005456) has the molecular formula C12H24F2N2 and a molecular weight of 234.33 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-ethyl-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,2-difluoroethyl)-N-ethyl-4-methylcyclohexan-1-amine
PubChem CID62005456
Molecular FormulaC12H24F2N2
Molecular Weight234.33 g/mol
Exact Mass234.19
IUPAC Name1-(aminomethyl)-N-(2,2-difluoroethyl)-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCN(CC(F)F)C1(CN)CCC(C)CC1
InChIInChI=1S/C12H24F2N2/c1-3-16(8-11(13)14)12(9-15)6-4-10(2)5-7-12/h10-11H,3-9,15H2,1-2H3
InChIKeyMLXMWPIYSZUERM-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-ethyl-4-methylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-ethyl-4-methylcyclohexan-1-amine (CID 62005456) is 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-ethyl-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-ethyl-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-ethyl-4-methylcyclohexan-1-amine is CCN(CC(F)F)C1(CN)CCC(C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-ethyl-4-methylcyclohexan-1-amine?
The InChIKey is MLXMWPIYSZUERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2/c1-3-16(8-11(13)14)12(9-15)6-4-10(2)5-7-12/h10-11H,3-9,15H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-ethyl-4-methylcyclohexan-1-amine?
1-(aminomethyl)-N-(2,2-difluoroethyl)-N-ethyl-4-methylcyclohexan-1-amine has a molecular weight of 234.33 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-ethyl-4-methylcyclohexan-1-amine is sourced from PubChem (CID 62005456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).