2,4-dimethyl-3-phenylhex-5-en-3-amine

C14H21N — CID 10679669

IUPAC2,4-dimethyl-3-phenylhex-5-en-3-amine
SMILESC=CC(C)C(N)(c1ccccc1)C(C)C
InChIInChI=1S/C14H21N/c1-5-12(4)14(15,11(2)3)13-9-7-6-8-10-13/h5-12H,1,15H2,2-4H3
InChIKeyYBFSKEANBNKMKR-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.32
Rot. Bonds4

About 2,4-dimethyl-3-phenylhex-5-en-3-amine

2,4-dimethyl-3-phenylhex-5-en-3-amine (PubChem CID 10679669) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 2,4-dimethyl-3-phenylhex-5-en-3-amine.

Molecular Properties

Compound Name2,4-dimethyl-3-phenylhex-5-en-3-amine
PubChem CID10679669
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name2,4-dimethyl-3-phenylhex-5-en-3-amine
SMILESC=CC(C)C(N)(c1ccccc1)C(C)C
InChIInChI=1S/C14H21N/c1-5-12(4)14(15,11(2)3)13-9-7-6-8-10-13/h5-12H,1,15H2,2-4H3
InChIKeyYBFSKEANBNKMKR-UHFFFAOYSA-N
XLogP3.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-phenylhex-5-en-3-amine?
The IUPAC name of 2,4-dimethyl-3-phenylhex-5-en-3-amine (CID 10679669) is 2,4-dimethyl-3-phenylhex-5-en-3-amine.
What is the SMILES notation for 2,4-dimethyl-3-phenylhex-5-en-3-amine?
The canonical SMILES for 2,4-dimethyl-3-phenylhex-5-en-3-amine is C=CC(C)C(N)(c1ccccc1)C(C)C.
What is the InChIKey of 2,4-dimethyl-3-phenylhex-5-en-3-amine?
The InChIKey is YBFSKEANBNKMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-5-12(4)14(15,11(2)3)13-9-7-6-8-10-13/h5-12H,1,15H2,2-4H3.
What are the key properties of 2,4-dimethyl-3-phenylhex-5-en-3-amine?
2,4-dimethyl-3-phenylhex-5-en-3-amine has a molecular weight of 203.33 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-phenylhex-5-en-3-amine is sourced from PubChem (CID 10679669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).