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

C10H20F2N2 — CID 62004684

IUPAC1-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylcyclohexan-1-amine
SMILESCN(CC(F)F)C1(CN)CCCCC1
InChIInChI=1S/C10H20F2N2/c1-14(7-9(11)12)10(8-13)5-3-2-4-6-10/h9H,2-8,13H2,1H3
InChIKeyFNRGTRFQUWOPNN-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.84
Rot. Bonds4

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

1-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylcyclohexan-1-amine (PubChem CID 62004684) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylcyclohexan-1-amine
PubChem CID62004684
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC Name1-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylcyclohexan-1-amine
SMILESCN(CC(F)F)C1(CN)CCCCC1
InChIInChI=1S/C10H20F2N2/c1-14(7-9(11)12)10(8-13)5-3-2-4-6-10/h9H,2-8,13H2,1H3
InChIKeyFNRGTRFQUWOPNN-UHFFFAOYSA-N
XLogP1.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.84
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-methylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylcyclohexan-1-amine (CID 62004684) is 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylcyclohexan-1-amine is CN(CC(F)F)C1(CN)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylcyclohexan-1-amine?
The InChIKey is FNRGTRFQUWOPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2/c1-14(7-9(11)12)10(8-13)5-3-2-4-6-10/h9H,2-8,13H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylcyclohexan-1-amine?
1-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylcyclohexan-1-amine has a molecular weight of 206.28 g/mol, XLogP of 1.84, 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-methylcyclohexan-1-amine is sourced from PubChem (CID 62004684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).