1-(aminomethyl)-4,4-difluoro-N-methylcyclohexan-1-amine

C8H16F2N2 — CID 134291539

IUPAC1-(aminomethyl)-4,4-difluoro-N-methylcyclohexan-1-amine
SMILESCNC1(CN)CCC(F)(F)CC1
InChIInChI=1S/C8H16F2N2/c1-12-7(6-11)2-4-8(9,10)5-3-7/h12H,2-6,11H2,1H3
InChIKeyUKOXDGAKSJWOOA-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.11
Rot. Bonds2

About 1-(aminomethyl)-4,4-difluoro-N-methylcyclohexan-1-amine

1-(aminomethyl)-4,4-difluoro-N-methylcyclohexan-1-amine (PubChem CID 134291539) has the molecular formula C8H16F2N2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(aminomethyl)-4,4-difluoro-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-4,4-difluoro-N-methylcyclohexan-1-amine
PubChem CID134291539
Molecular FormulaC8H16F2N2
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Name1-(aminomethyl)-4,4-difluoro-N-methylcyclohexan-1-amine
SMILESCNC1(CN)CCC(F)(F)CC1
InChIInChI=1S/C8H16F2N2/c1-12-7(6-11)2-4-8(9,10)5-3-7/h12H,2-6,11H2,1H3
InChIKeyUKOXDGAKSJWOOA-UHFFFAOYSA-N
XLogP1.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4,4-difluoro-N-methylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-4,4-difluoro-N-methylcyclohexan-1-amine (CID 134291539) is 1-(aminomethyl)-4,4-difluoro-N-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-4,4-difluoro-N-methylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-4,4-difluoro-N-methylcyclohexan-1-amine is CNC1(CN)CCC(F)(F)CC1.
What is the InChIKey of 1-(aminomethyl)-4,4-difluoro-N-methylcyclohexan-1-amine?
The InChIKey is UKOXDGAKSJWOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2/c1-12-7(6-11)2-4-8(9,10)5-3-7/h12H,2-6,11H2,1H3.
What are the key properties of 1-(aminomethyl)-4,4-difluoro-N-methylcyclohexan-1-amine?
1-(aminomethyl)-4,4-difluoro-N-methylcyclohexan-1-amine has a molecular weight of 178.23 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4,4-difluoro-N-methylcyclohexan-1-amine is sourced from PubChem (CID 134291539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).