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

C10H20F2N2O — CID 106872696

IUPAC1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methoxycyclohexan-1-amine
SMILESCOC1CCCC(CN)(NCC(F)F)C1
InChIInChI=1S/C10H20F2N2O/c1-15-8-3-2-4-10(5-8,7-13)14-6-9(11)12/h8-9,14H,2-7,13H2,1H3
InChIKeyKRCVTXZZTPSORU-UHFFFAOYSA-N
MW222.28 g/mol
LogP1.13
Rot. Bonds5

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

1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methoxycyclohexan-1-amine (PubChem CID 106872696) has the molecular formula C10H20F2N2O and a molecular weight of 222.28 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methoxycyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methoxycyclohexan-1-amine
PubChem CID106872696
Molecular FormulaC10H20F2N2O
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methoxycyclohexan-1-amine
SMILESCOC1CCCC(CN)(NCC(F)F)C1
InChIInChI=1S/C10H20F2N2O/c1-15-8-3-2-4-10(5-8,7-13)14-6-9(11)12/h8-9,14H,2-7,13H2,1H3
InChIKeyKRCVTXZZTPSORU-UHFFFAOYSA-N
XLogP1.13
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methoxycyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methoxycyclohexan-1-amine (CID 106872696) is 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methoxycyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methoxycyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methoxycyclohexan-1-amine is COC1CCCC(CN)(NCC(F)F)C1.
What is the InChIKey of 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methoxycyclohexan-1-amine?
The InChIKey is KRCVTXZZTPSORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O/c1-15-8-3-2-4-10(5-8,7-13)14-6-9(11)12/h8-9,14H,2-7,13H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methoxycyclohexan-1-amine?
1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methoxycyclohexan-1-amine has a molecular weight of 222.28 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methoxycyclohexan-1-amine is sourced from PubChem (CID 106872696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).