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

C13H26F2N2 — CID 62008131

IUPAC1-(aminomethyl)-N-(2,2-difluoroethyl)-N-propylcycloheptan-1-amine
SMILESCCCN(CC(F)F)C1(CN)CCCCCC1
InChIInChI=1S/C13H26F2N2/c1-2-9-17(10-12(14)15)13(11-16)7-5-3-4-6-8-13/h12H,2-11,16H2,1H3
InChIKeyOLJAXGHNFSKYRV-UHFFFAOYSA-N
MW248.36 g/mol
LogP3.02
Rot. Bonds6

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

1-(aminomethyl)-N-(2,2-difluoroethyl)-N-propylcycloheptan-1-amine (PubChem CID 62008131) has the molecular formula C13H26F2N2 and a molecular weight of 248.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-propylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,2-difluoroethyl)-N-propylcycloheptan-1-amine
PubChem CID62008131
Molecular FormulaC13H26F2N2
Molecular Weight248.36 g/mol
Exact Mass248.21
IUPAC Name1-(aminomethyl)-N-(2,2-difluoroethyl)-N-propylcycloheptan-1-amine
SMILESCCCN(CC(F)F)C1(CN)CCCCCC1
InChIInChI=1S/C13H26F2N2/c1-2-9-17(10-12(14)15)13(11-16)7-5-3-4-6-8-13/h12H,2-11,16H2,1H3
InChIKeyOLJAXGHNFSKYRV-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 53.02
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-propylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-propylcycloheptan-1-amine (CID 62008131) is 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-propylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-propylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-propylcycloheptan-1-amine is CCCN(CC(F)F)C1(CN)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-propylcycloheptan-1-amine?
The InChIKey is OLJAXGHNFSKYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F2N2/c1-2-9-17(10-12(14)15)13(11-16)7-5-3-4-6-8-13/h12H,2-11,16H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-propylcycloheptan-1-amine?
1-(aminomethyl)-N-(2,2-difluoroethyl)-N-propylcycloheptan-1-amine has a molecular weight of 248.36 g/mol, XLogP of 3.02, 6 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-propylcycloheptan-1-amine is sourced from PubChem (CID 62008131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).