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

C12H24F2N2 — CID 62007735

IUPAC1-(aminomethyl)-N-(2,2-difluoroethyl)-N-ethylcycloheptan-1-amine
SMILESCCN(CC(F)F)C1(CN)CCCCCC1
InChIInChI=1S/C12H24F2N2/c1-2-16(9-11(13)14)12(10-15)7-5-3-4-6-8-12/h11H,2-10,15H2,1H3
InChIKeyBZMINXJCVYUHQQ-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.63
Rot. Bonds5

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

1-(aminomethyl)-N-(2,2-difluoroethyl)-N-ethylcycloheptan-1-amine (PubChem CID 62007735) has the molecular formula C12H24F2N2 and a molecular weight of 234.33 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-ethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,2-difluoroethyl)-N-ethylcycloheptan-1-amine
PubChem CID62007735
Molecular FormulaC12H24F2N2
Molecular Weight234.33 g/mol
Exact Mass234.19
IUPAC Name1-(aminomethyl)-N-(2,2-difluoroethyl)-N-ethylcycloheptan-1-amine
SMILESCCN(CC(F)F)C1(CN)CCCCCC1
InChIInChI=1S/C12H24F2N2/c1-2-16(9-11(13)14)12(10-15)7-5-3-4-6-8-12/h11H,2-10,15H2,1H3
InChIKeyBZMINXJCVYUHQQ-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.63
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-ethylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-ethylcycloheptan-1-amine (CID 62007735) is 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-ethylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-ethylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-ethylcycloheptan-1-amine is CCN(CC(F)F)C1(CN)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-ethylcycloheptan-1-amine?
The InChIKey is BZMINXJCVYUHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2/c1-2-16(9-11(13)14)12(10-15)7-5-3-4-6-8-12/h11H,2-10,15H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-ethylcycloheptan-1-amine?
1-(aminomethyl)-N-(2,2-difluoroethyl)-N-ethylcycloheptan-1-amine has a molecular weight of 234.33 g/mol, XLogP of 2.63, 5 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-ethylcycloheptan-1-amine is sourced from PubChem (CID 62007735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).