3,3-difluoro-N,7-dimethyl-6-methylideneoctan-1-amine

C11H21F2N — CID 134570911

IUPAC3,3-difluoro-N,7-dimethyl-6-methylideneoctan-1-amine
SMILESC=C(CCC(F)(F)CCNC)C(C)C
InChIInChI=1S/C11H21F2N/c1-9(2)10(3)5-6-11(12,13)7-8-14-4/h9,14H,3,5-8H2,1-2,4H3
InChIKeyUKTNIRNHLOWGPT-UHFFFAOYSA-N
MW205.29 g/mol
LogP3.22
Rot. Bonds7

About 3,3-difluoro-N,7-dimethyl-6-methylideneoctan-1-amine

3,3-difluoro-N,7-dimethyl-6-methylideneoctan-1-amine (PubChem CID 134570911) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is 3,3-difluoro-N,7-dimethyl-6-methylideneoctan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-N,7-dimethyl-6-methylideneoctan-1-amine
PubChem CID134570911
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC Name3,3-difluoro-N,7-dimethyl-6-methylideneoctan-1-amine
SMILESC=C(CCC(F)(F)CCNC)C(C)C
InChIInChI=1S/C11H21F2N/c1-9(2)10(3)5-6-11(12,13)7-8-14-4/h9,14H,3,5-8H2,1-2,4H3
InChIKeyUKTNIRNHLOWGPT-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N,7-dimethyl-6-methylideneoctan-1-amine?
The IUPAC name of 3,3-difluoro-N,7-dimethyl-6-methylideneoctan-1-amine (CID 134570911) is 3,3-difluoro-N,7-dimethyl-6-methylideneoctan-1-amine.
What is the SMILES notation for 3,3-difluoro-N,7-dimethyl-6-methylideneoctan-1-amine?
The canonical SMILES for 3,3-difluoro-N,7-dimethyl-6-methylideneoctan-1-amine is C=C(CCC(F)(F)CCNC)C(C)C.
What is the InChIKey of 3,3-difluoro-N,7-dimethyl-6-methylideneoctan-1-amine?
The InChIKey is UKTNIRNHLOWGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N/c1-9(2)10(3)5-6-11(12,13)7-8-14-4/h9,14H,3,5-8H2,1-2,4H3.
What are the key properties of 3,3-difluoro-N,7-dimethyl-6-methylideneoctan-1-amine?
3,3-difluoro-N,7-dimethyl-6-methylideneoctan-1-amine has a molecular weight of 205.29 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N,7-dimethyl-6-methylideneoctan-1-amine is sourced from PubChem (CID 134570911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).