3-(1-tert-butylazetidin-3-yl)-3,3-difluoropropan-1-amine

C10H20F2N2 — CID 105459094

IUPAC3-(1-tert-butylazetidin-3-yl)-3,3-difluoropropan-1-amine
SMILESCC(C)(C)N1CC(C(F)(F)CCN)C1
InChIInChI=1S/C10H20F2N2/c1-9(2,3)14-6-8(7-14)10(11,12)4-5-13/h8H,4-7,13H2,1-3H3
InChIKeyZUZHELYPLGYMNJ-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.70
Rot. Bonds3

About 3-(1-tert-butylazetidin-3-yl)-3,3-difluoropropan-1-amine

3-(1-tert-butylazetidin-3-yl)-3,3-difluoropropan-1-amine (PubChem CID 105459094) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 3-(1-tert-butylazetidin-3-yl)-3,3-difluoropropan-1-amine.

Molecular Properties

Compound Name3-(1-tert-butylazetidin-3-yl)-3,3-difluoropropan-1-amine
PubChem CID105459094
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC Name3-(1-tert-butylazetidin-3-yl)-3,3-difluoropropan-1-amine
SMILESCC(C)(C)N1CC(C(F)(F)CCN)C1
InChIInChI=1S/C10H20F2N2/c1-9(2,3)14-6-8(7-14)10(11,12)4-5-13/h8H,4-7,13H2,1-3H3
InChIKeyZUZHELYPLGYMNJ-UHFFFAOYSA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-ethylpiperidin-4-yl)-3,3-difluoropropan-1-amine
CID 105459090
1,3,5-tritert-butylpiperidine
CID 118013533
1-tert-butylpyrrolidine-3,4-diamine
CID 89335821
3,3-difluoro-3-(oxolan-3-yl)propan-1-amine
CID 105432611
1-(4-amino-2-methylbutan-2-yl)azetidin-3-ol
CID 83815614
1-tert-butyl-3-[2-(3-tert-butylazetidin-1-yl)propan-2-yl]azetidine
CID 170019635
4-amino-1,1,1-trifluoro-2-methylbutan-2-ol
CID 79006473
3-cyclopropylbutane-1,3-diamine
CID 150088317
1-tert-butyl-3-N,5-N-dimethylpiperidine-3,5-diamine
CID 89335604
3,3-difluoropentan-1-amine
CID 84762152
(1-tert-butylazepan-3-yl)methanamine
CID 84659780
1-(3-tert-butyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)-4,4,4-trifluorobutan-1-one
CID 140929181

Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butylazetidin-3-yl)-3,3-difluoropropan-1-amine?
The IUPAC name of 3-(1-tert-butylazetidin-3-yl)-3,3-difluoropropan-1-amine (CID 105459094) is 3-(1-tert-butylazetidin-3-yl)-3,3-difluoropropan-1-amine.
What is the SMILES notation for 3-(1-tert-butylazetidin-3-yl)-3,3-difluoropropan-1-amine?
The canonical SMILES for 3-(1-tert-butylazetidin-3-yl)-3,3-difluoropropan-1-amine is CC(C)(C)N1CC(C(F)(F)CCN)C1.
What is the InChIKey of 3-(1-tert-butylazetidin-3-yl)-3,3-difluoropropan-1-amine?
The InChIKey is ZUZHELYPLGYMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2/c1-9(2,3)14-6-8(7-14)10(11,12)4-5-13/h8H,4-7,13H2,1-3H3.
What are the key properties of 3-(1-tert-butylazetidin-3-yl)-3,3-difluoropropan-1-amine?
3-(1-tert-butylazetidin-3-yl)-3,3-difluoropropan-1-amine has a molecular weight of 206.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tert-butylazetidin-3-yl)-3,3-difluoropropan-1-amine is sourced from PubChem (CID 105459094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).