3-fluoro-N,N-di(propan-2-yl)propan-1-amine

C9H20FN — CID 20687155

IUPAC3-fluoro-N,N-di(propan-2-yl)propan-1-amine
SMILESCC(C)N(CCCF)C(C)C
InChIInChI=1S/C9H20FN/c1-8(2)11(9(3)4)7-5-6-10/h8-9H,5-7H2,1-4H3
InChIKeyAEUXDQMJGHRYMU-UHFFFAOYSA-N
MW161.26 g/mol
LogP2.46
Rot. Bonds5

About 3-fluoro-N,N-di(propan-2-yl)propan-1-amine

3-fluoro-N,N-di(propan-2-yl)propan-1-amine (PubChem CID 20687155) has the molecular formula C9H20FN and a molecular weight of 161.26 g/mol. Its IUPAC name is 3-fluoro-N,N-di(propan-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-fluoro-N,N-di(propan-2-yl)propan-1-amine
PubChem CID20687155
Molecular FormulaC9H20FN
Molecular Weight161.26 g/mol
Exact Mass161.16
IUPAC Name3-fluoro-N,N-di(propan-2-yl)propan-1-amine
SMILESCC(C)N(CCCF)C(C)C
InChIInChI=1S/C9H20FN/c1-8(2)11(9(3)4)7-5-6-10/h8-9H,5-7H2,1-4H3
InChIKeyAEUXDQMJGHRYMU-UHFFFAOYSA-N
XLogP2.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,N-di(propan-2-yl)propan-1-amine?
The IUPAC name of 3-fluoro-N,N-di(propan-2-yl)propan-1-amine (CID 20687155) is 3-fluoro-N,N-di(propan-2-yl)propan-1-amine.
What is the SMILES notation for 3-fluoro-N,N-di(propan-2-yl)propan-1-amine?
The canonical SMILES for 3-fluoro-N,N-di(propan-2-yl)propan-1-amine is CC(C)N(CCCF)C(C)C.
What is the InChIKey of 3-fluoro-N,N-di(propan-2-yl)propan-1-amine?
The InChIKey is AEUXDQMJGHRYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FN/c1-8(2)11(9(3)4)7-5-6-10/h8-9H,5-7H2,1-4H3.
What are the key properties of 3-fluoro-N,N-di(propan-2-yl)propan-1-amine?
3-fluoro-N,N-di(propan-2-yl)propan-1-amine has a molecular weight of 161.26 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,N-di(propan-2-yl)propan-1-amine is sourced from PubChem (CID 20687155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).