3,6-diphenylhex-5-en-3-amine

C18H21N — CID 53422440

IUPAC3,6-diphenylhex-5-en-3-amine
SMILESCCC(N)(CC=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21N/c1-2-18(19,17-13-7-4-8-14-17)15-9-12-16-10-5-3-6-11-16/h3-14H,2,15,19H2,1H3
InChIKeyUJYAPCYKCSLGDL-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.35
Rot. Bonds5

About 3,6-diphenylhex-5-en-3-amine

3,6-diphenylhex-5-en-3-amine (PubChem CID 53422440) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 3,6-diphenylhex-5-en-3-amine.

Molecular Properties

Compound Name3,6-diphenylhex-5-en-3-amine
PubChem CID53422440
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name3,6-diphenylhex-5-en-3-amine
SMILESCCC(N)(CC=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21N/c1-2-18(19,17-13-7-4-8-14-17)15-9-12-16-10-5-3-6-11-16/h3-14H,2,15,19H2,1H3
InChIKeyUJYAPCYKCSLGDL-UHFFFAOYSA-N
XLogP4.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6-diphenylhex-5-en-3-amine?
The IUPAC name of 3,6-diphenylhex-5-en-3-amine (CID 53422440) is 3,6-diphenylhex-5-en-3-amine.
What is the SMILES notation for 3,6-diphenylhex-5-en-3-amine?
The canonical SMILES for 3,6-diphenylhex-5-en-3-amine is CCC(N)(CC=Cc1ccccc1)c1ccccc1.
What is the InChIKey of 3,6-diphenylhex-5-en-3-amine?
The InChIKey is UJYAPCYKCSLGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-2-18(19,17-13-7-4-8-14-17)15-9-12-16-10-5-3-6-11-16/h3-14H,2,15,19H2,1H3.
What are the key properties of 3,6-diphenylhex-5-en-3-amine?
3,6-diphenylhex-5-en-3-amine has a molecular weight of 251.37 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diphenylhex-5-en-3-amine is sourced from PubChem (CID 53422440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).