5-cyclopropyl-4-(2-fluoropropan-2-yl)cyclohepta-1,3,5-trien-1-amine

C13H18FN — CID 143772221

IUPAC5-cyclopropyl-4-(2-fluoropropan-2-yl)cyclohepta-1,3,5-trien-1-amine
SMILESCC(C)(F)C1=CC=C(N)CC=C1C1CC1
InChIInChI=1S/C13H18FN/c1-13(2,14)12-8-6-10(15)5-7-11(12)9-3-4-9/h6-9H,3-5,15H2,1-2H3
InChIKeyYCCZSQXKNXPKKG-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.24
Rot. Bonds2

About 5-cyclopropyl-4-(2-fluoropropan-2-yl)cyclohepta-1,3,5-trien-1-amine

5-cyclopropyl-4-(2-fluoropropan-2-yl)cyclohepta-1,3,5-trien-1-amine (PubChem CID 143772221) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 5-cyclopropyl-4-(2-fluoropropan-2-yl)cyclohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name5-cyclopropyl-4-(2-fluoropropan-2-yl)cyclohepta-1,3,5-trien-1-amine
PubChem CID143772221
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name5-cyclopropyl-4-(2-fluoropropan-2-yl)cyclohepta-1,3,5-trien-1-amine
SMILESCC(C)(F)C1=CC=C(N)CC=C1C1CC1
InChIInChI=1S/C13H18FN/c1-13(2,14)12-8-6-10(15)5-7-11(12)9-3-4-9/h6-9H,3-5,15H2,1-2H3
InChIKeyYCCZSQXKNXPKKG-UHFFFAOYSA-N
XLogP3.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-(2-fluoropropan-2-yl)cyclohepta-1,3,5-trien-1-amine?
The IUPAC name of 5-cyclopropyl-4-(2-fluoropropan-2-yl)cyclohepta-1,3,5-trien-1-amine (CID 143772221) is 5-cyclopropyl-4-(2-fluoropropan-2-yl)cyclohepta-1,3,5-trien-1-amine.
What is the SMILES notation for 5-cyclopropyl-4-(2-fluoropropan-2-yl)cyclohepta-1,3,5-trien-1-amine?
The canonical SMILES for 5-cyclopropyl-4-(2-fluoropropan-2-yl)cyclohepta-1,3,5-trien-1-amine is CC(C)(F)C1=CC=C(N)CC=C1C1CC1.
What is the InChIKey of 5-cyclopropyl-4-(2-fluoropropan-2-yl)cyclohepta-1,3,5-trien-1-amine?
The InChIKey is YCCZSQXKNXPKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-13(2,14)12-8-6-10(15)5-7-11(12)9-3-4-9/h6-9H,3-5,15H2,1-2H3.
What are the key properties of 5-cyclopropyl-4-(2-fluoropropan-2-yl)cyclohepta-1,3,5-trien-1-amine?
5-cyclopropyl-4-(2-fluoropropan-2-yl)cyclohepta-1,3,5-trien-1-amine has a molecular weight of 207.29 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-(2-fluoropropan-2-yl)cyclohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 143772221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).