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

C10H20F2N2 — CID 115406270

IUPAC1-(aminomethyl)-N-(2,2-difluoroethyl)cycloheptan-1-amine
SMILESNCC1(NCC(F)F)CCCCCC1
InChIInChI=1S/C10H20F2N2/c11-9(12)7-14-10(8-13)5-3-1-2-4-6-10/h9,14H,1-8,13H2
InChIKeyWDSWSXPYARCJJT-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.89
Rot. Bonds4

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

1-(aminomethyl)-N-(2,2-difluoroethyl)cycloheptan-1-amine (PubChem CID 115406270) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,2-difluoroethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,2-difluoroethyl)cycloheptan-1-amine
PubChem CID115406270
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC Name1-(aminomethyl)-N-(2,2-difluoroethyl)cycloheptan-1-amine
SMILESNCC1(NCC(F)F)CCCCCC1
InChIInChI=1S/C10H20F2N2/c11-9(12)7-14-10(8-13)5-3-1-2-4-6-10/h9,14H,1-8,13H2
InChIKeyWDSWSXPYARCJJT-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.89
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)cycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2,2-difluoroethyl)cycloheptan-1-amine (CID 115406270) is 1-(aminomethyl)-N-(2,2-difluoroethyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2,2-difluoroethyl)cycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2,2-difluoroethyl)cycloheptan-1-amine is NCC1(NCC(F)F)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2,2-difluoroethyl)cycloheptan-1-amine?
The InChIKey is WDSWSXPYARCJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2/c11-9(12)7-14-10(8-13)5-3-1-2-4-6-10/h9,14H,1-8,13H2.
What are the key properties of 1-(aminomethyl)-N-(2,2-difluoroethyl)cycloheptan-1-amine?
1-(aminomethyl)-N-(2,2-difluoroethyl)cycloheptan-1-amine has a molecular weight of 206.28 g/mol, XLogP of 1.89, 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)cycloheptan-1-amine is sourced from PubChem (CID 115406270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).