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

C9H18F2N2 — CID 115406208

IUPAC1-(aminomethyl)-N-(2,2-difluoroethyl)-2-methylcyclopentan-1-amine
SMILESCC1CCCC1(CN)NCC(F)F
InChIInChI=1S/C9H18F2N2/c1-7-3-2-4-9(7,6-12)13-5-8(10)11/h7-8,13H,2-6,12H2,1H3
InChIKeyMRGLSKNTYJMEFY-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.36
Rot. Bonds4

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

1-(aminomethyl)-N-(2,2-difluoroethyl)-2-methylcyclopentan-1-amine (PubChem CID 115406208) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,2-difluoroethyl)-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,2-difluoroethyl)-2-methylcyclopentan-1-amine
PubChem CID115406208
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name1-(aminomethyl)-N-(2,2-difluoroethyl)-2-methylcyclopentan-1-amine
SMILESCC1CCCC1(CN)NCC(F)F
InChIInChI=1S/C9H18F2N2/c1-7-3-2-4-9(7,6-12)13-5-8(10)11/h7-8,13H,2-6,12H2,1H3
InChIKeyMRGLSKNTYJMEFY-UHFFFAOYSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.36
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)-2-methylcyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2,2-difluoroethyl)-2-methylcyclopentan-1-amine (CID 115406208) is 1-(aminomethyl)-N-(2,2-difluoroethyl)-2-methylcyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2,2-difluoroethyl)-2-methylcyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2,2-difluoroethyl)-2-methylcyclopentan-1-amine is CC1CCCC1(CN)NCC(F)F.
What is the InChIKey of 1-(aminomethyl)-N-(2,2-difluoroethyl)-2-methylcyclopentan-1-amine?
The InChIKey is MRGLSKNTYJMEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2/c1-7-3-2-4-9(7,6-12)13-5-8(10)11/h7-8,13H,2-6,12H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(2,2-difluoroethyl)-2-methylcyclopentan-1-amine?
1-(aminomethyl)-N-(2,2-difluoroethyl)-2-methylcyclopentan-1-amine has a molecular weight of 192.25 g/mol, XLogP of 1.36, 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)-2-methylcyclopentan-1-amine is sourced from PubChem (CID 115406208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).