N-tert-butyl-3,3-difluoro-5,5-dimethylhexan-1-amine

C12H25F2N — CID 176737647

IUPACN-tert-butyl-3,3-difluoro-5,5-dimethylhexan-1-amine
SMILESCC(C)(C)CC(F)(F)CCNC(C)(C)C
InChIInChI=1S/C12H25F2N/c1-10(2,3)9-12(13,14)7-8-15-11(4,5)6/h15H,7-9H2,1-6H3
InChIKeyHZQHTPWPIMFWHG-UHFFFAOYSA-N
MW221.33 g/mol
LogP3.84
Rot. Bonds4

About N-tert-butyl-3,3-difluoro-5,5-dimethylhexan-1-amine

N-tert-butyl-3,3-difluoro-5,5-dimethylhexan-1-amine (PubChem CID 176737647) has the molecular formula C12H25F2N and a molecular weight of 221.33 g/mol. Its IUPAC name is N-tert-butyl-3,3-difluoro-5,5-dimethylhexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3,3-difluoro-5,5-dimethylhexan-1-amine
PubChem CID176737647
Molecular FormulaC12H25F2N
Molecular Weight221.33 g/mol
Exact Mass221.20
IUPAC NameN-tert-butyl-3,3-difluoro-5,5-dimethylhexan-1-amine
SMILESCC(C)(C)CC(F)(F)CCNC(C)(C)C
InChIInChI=1S/C12H25F2N/c1-10(2,3)9-12(13,14)7-8-15-11(4,5)6/h15H,7-9H2,1-6H3
InChIKeyHZQHTPWPIMFWHG-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,3-difluoro-5,5-dimethylhexan-1-amine?
The IUPAC name of N-tert-butyl-3,3-difluoro-5,5-dimethylhexan-1-amine (CID 176737647) is N-tert-butyl-3,3-difluoro-5,5-dimethylhexan-1-amine.
What is the SMILES notation for N-tert-butyl-3,3-difluoro-5,5-dimethylhexan-1-amine?
The canonical SMILES for N-tert-butyl-3,3-difluoro-5,5-dimethylhexan-1-amine is CC(C)(C)CC(F)(F)CCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-3,3-difluoro-5,5-dimethylhexan-1-amine?
The InChIKey is HZQHTPWPIMFWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F2N/c1-10(2,3)9-12(13,14)7-8-15-11(4,5)6/h15H,7-9H2,1-6H3.
What are the key properties of N-tert-butyl-3,3-difluoro-5,5-dimethylhexan-1-amine?
N-tert-butyl-3,3-difluoro-5,5-dimethylhexan-1-amine has a molecular weight of 221.33 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,3-difluoro-5,5-dimethylhexan-1-amine is sourced from PubChem (CID 176737647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).