1-(aminomethyl)-N-(2,2-difluoroethyl)-N,3-dimethylcyclohexan-1-amine

C11H22F2N2 — CID 62007114

IUPAC1-(aminomethyl)-N-(2,2-difluoroethyl)-N,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(CN)(N(C)CC(F)F)C1
InChIInChI=1S/C11H22F2N2/c1-9-4-3-5-11(6-9,8-14)15(2)7-10(12)13/h9-10H,3-8,14H2,1-2H3
InChIKeyRQYGTWVYIQUVCP-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.09
Rot. Bonds4

About 1-(aminomethyl)-N-(2,2-difluoroethyl)-N,3-dimethylcyclohexan-1-amine

1-(aminomethyl)-N-(2,2-difluoroethyl)-N,3-dimethylcyclohexan-1-amine (PubChem CID 62007114) has the molecular formula C11H22F2N2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,2-difluoroethyl)-N,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,2-difluoroethyl)-N,3-dimethylcyclohexan-1-amine
PubChem CID62007114
Molecular FormulaC11H22F2N2
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC Name1-(aminomethyl)-N-(2,2-difluoroethyl)-N,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(CN)(N(C)CC(F)F)C1
InChIInChI=1S/C11H22F2N2/c1-9-4-3-5-11(6-9,8-14)15(2)7-10(12)13/h9-10H,3-8,14H2,1-2H3
InChIKeyRQYGTWVYIQUVCP-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-(aminomethyl)-3-methylcyclohexyl]-methylamino]-N-propan-2-ylacetamide
CID 62006956
1-(aminomethyl)-N,3-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 61431336
1-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylcyclohexan-1-amine
CID 43568986
1-(aminomethyl)-N,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine
CID 112588440
2-N-[1-(aminomethyl)-3-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188208
1-(aminomethyl)-N,3-dimethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 62006773
1-(aminomethyl)-N-benzyl-N,3-dimethylcyclohexan-1-amine
CID 43176319
1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylcyclopentan-1-amine
CID 105413972
1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)-3-methylcyclohexan-1-amine
CID 80698860
1-(aminomethyl)-N,4-dimethyl-N-(2-methylbutyl)cycloheptan-1-amine
CID 65084874
2-[[1-(aminomethyl)-3-methylcyclohexyl]-methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 62007108
1-(aminomethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)cyclohexan-1-amine
CID 43564069

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,2-difluoroethyl)-N,3-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2,2-difluoroethyl)-N,3-dimethylcyclohexan-1-amine (CID 62007114) is 1-(aminomethyl)-N-(2,2-difluoroethyl)-N,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2,2-difluoroethyl)-N,3-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2,2-difluoroethyl)-N,3-dimethylcyclohexan-1-amine is CC1CCCC(CN)(N(C)CC(F)F)C1.
What is the InChIKey of 1-(aminomethyl)-N-(2,2-difluoroethyl)-N,3-dimethylcyclohexan-1-amine?
The InChIKey is RQYGTWVYIQUVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2/c1-9-4-3-5-11(6-9,8-14)15(2)7-10(12)13/h9-10H,3-8,14H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(2,2-difluoroethyl)-N,3-dimethylcyclohexan-1-amine?
1-(aminomethyl)-N-(2,2-difluoroethyl)-N,3-dimethylcyclohexan-1-amine has a molecular weight of 220.31 g/mol, XLogP of 2.09, 4 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,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 62007114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).