1-(aminomethyl)-N-(2,2-difluoroethyl)-2,2-dimethylcyclohexan-1-amine

C11H22F2N2 — CID 115406202

IUPAC1-(aminomethyl)-N-(2,2-difluoroethyl)-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1(CN)NCC(F)F
InChIInChI=1S/C11H22F2N2/c1-10(2)5-3-4-6-11(10,8-14)15-7-9(12)13/h9,15H,3-8,14H2,1-2H3
InChIKeyXMRVFTWVYPORFY-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.14
Rot. Bonds4

About 1-(aminomethyl)-N-(2,2-difluoroethyl)-2,2-dimethylcyclohexan-1-amine

1-(aminomethyl)-N-(2,2-difluoroethyl)-2,2-dimethylcyclohexan-1-amine (PubChem CID 115406202) has the molecular formula C11H22F2N2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,2-difluoroethyl)-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,2-difluoroethyl)-2,2-dimethylcyclohexan-1-amine
PubChem CID115406202
Molecular FormulaC11H22F2N2
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC Name1-(aminomethyl)-N-(2,2-difluoroethyl)-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1(CN)NCC(F)F
InChIInChI=1S/C11H22F2N2/c1-10(2)5-3-4-6-11(10,8-14)15-7-9(12)13/h9,15H,3-8,14H2,1-2H3
InChIKeyXMRVFTWVYPORFY-UHFFFAOYSA-N
XLogP2.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,2-difluoroethyl)-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2,2-difluoroethyl)-2,2-dimethylcyclohexan-1-amine (CID 115406202) is 1-(aminomethyl)-N-(2,2-difluoroethyl)-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2,2-difluoroethyl)-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2,2-difluoroethyl)-2,2-dimethylcyclohexan-1-amine is CC1(C)CCCCC1(CN)NCC(F)F.
What is the InChIKey of 1-(aminomethyl)-N-(2,2-difluoroethyl)-2,2-dimethylcyclohexan-1-amine?
The InChIKey is XMRVFTWVYPORFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2/c1-10(2)5-3-4-6-11(10,8-14)15-7-9(12)13/h9,15H,3-8,14H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(2,2-difluoroethyl)-2,2-dimethylcyclohexan-1-amine?
1-(aminomethyl)-N-(2,2-difluoroethyl)-2,2-dimethylcyclohexan-1-amine has a molecular weight of 220.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2,2-difluoroethyl)-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 115406202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).