2-fluoro-3,3-dimethyl-N,N-dipropylcyclohexa-1,5-dien-1-amine

C14H24FN — CID 144915718

IUPAC2-fluoro-3,3-dimethyl-N,N-dipropylcyclohexa-1,5-dien-1-amine
SMILESCCCN(CCC)C1=C(F)C(C)(C)CC=C1
InChIInChI=1S/C14H24FN/c1-5-10-16(11-6-2)12-8-7-9-14(3,4)13(12)15/h7-8H,5-6,9-11H2,1-4H3
InChIKeyUTZSFWMILNKTCR-UHFFFAOYSA-N
MW225.35 g/mol
LogP4.28
Rot. Bonds5

About 2-fluoro-3,3-dimethyl-N,N-dipropylcyclohexa-1,5-dien-1-amine

2-fluoro-3,3-dimethyl-N,N-dipropylcyclohexa-1,5-dien-1-amine (PubChem CID 144915718) has the molecular formula C14H24FN and a molecular weight of 225.35 g/mol. Its IUPAC name is 2-fluoro-3,3-dimethyl-N,N-dipropylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name2-fluoro-3,3-dimethyl-N,N-dipropylcyclohexa-1,5-dien-1-amine
PubChem CID144915718
Molecular FormulaC14H24FN
Molecular Weight225.35 g/mol
Exact Mass225.19
IUPAC Name2-fluoro-3,3-dimethyl-N,N-dipropylcyclohexa-1,5-dien-1-amine
SMILESCCCN(CCC)C1=C(F)C(C)(C)CC=C1
InChIInChI=1S/C14H24FN/c1-5-10-16(11-6-2)12-8-7-9-14(3,4)13(12)15/h7-8H,5-6,9-11H2,1-4H3
InChIKeyUTZSFWMILNKTCR-UHFFFAOYSA-N
XLogP4.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.35
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,3-dimethyl-N,N-dipropylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 2-fluoro-3,3-dimethyl-N,N-dipropylcyclohexa-1,5-dien-1-amine (CID 144915718) is 2-fluoro-3,3-dimethyl-N,N-dipropylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 2-fluoro-3,3-dimethyl-N,N-dipropylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 2-fluoro-3,3-dimethyl-N,N-dipropylcyclohexa-1,5-dien-1-amine is CCCN(CCC)C1=C(F)C(C)(C)CC=C1.
What is the InChIKey of 2-fluoro-3,3-dimethyl-N,N-dipropylcyclohexa-1,5-dien-1-amine?
The InChIKey is UTZSFWMILNKTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN/c1-5-10-16(11-6-2)12-8-7-9-14(3,4)13(12)15/h7-8H,5-6,9-11H2,1-4H3.
What are the key properties of 2-fluoro-3,3-dimethyl-N,N-dipropylcyclohexa-1,5-dien-1-amine?
2-fluoro-3,3-dimethyl-N,N-dipropylcyclohexa-1,5-dien-1-amine has a molecular weight of 225.35 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,3-dimethyl-N,N-dipropylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 144915718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).