N,N-dimethyl-1-phenylbut-1-en-1-amine

C12H17N — CID 154209474

IUPACN,N-dimethyl-1-phenylbut-1-en-1-amine
SMILESCCC=C(c1ccccc1)N(C)C
InChIInChI=1S/C12H17N/c1-4-8-12(13(2)3)11-9-6-5-7-10-11/h5-10H,4H2,1-3H3
InChIKeyBKTKQFYKPGOKTH-UHFFFAOYSA-N
MW175.28 g/mol
LogP3.00
Rot. Bonds3

About N,N-dimethyl-1-phenylbut-1-en-1-amine

N,N-dimethyl-1-phenylbut-1-en-1-amine (PubChem CID 154209474) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is N,N-dimethyl-1-phenylbut-1-en-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-phenylbut-1-en-1-amine
PubChem CID154209474
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC NameN,N-dimethyl-1-phenylbut-1-en-1-amine
SMILESCCC=C(c1ccccc1)N(C)C
InChIInChI=1S/C12H17N/c1-4-8-12(13(2)3)11-9-6-5-7-10-11/h5-10H,4H2,1-3H3
InChIKeyBKTKQFYKPGOKTH-UHFFFAOYSA-N
XLogP3.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenylbut-1-en-1-amine?
The IUPAC name of N,N-dimethyl-1-phenylbut-1-en-1-amine (CID 154209474) is N,N-dimethyl-1-phenylbut-1-en-1-amine.
What is the SMILES notation for N,N-dimethyl-1-phenylbut-1-en-1-amine?
The canonical SMILES for N,N-dimethyl-1-phenylbut-1-en-1-amine is CCC=C(c1ccccc1)N(C)C.
What is the InChIKey of N,N-dimethyl-1-phenylbut-1-en-1-amine?
The InChIKey is BKTKQFYKPGOKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-4-8-12(13(2)3)11-9-6-5-7-10-11/h5-10H,4H2,1-3H3.
What are the key properties of N,N-dimethyl-1-phenylbut-1-en-1-amine?
N,N-dimethyl-1-phenylbut-1-en-1-amine has a molecular weight of 175.28 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenylbut-1-en-1-amine is sourced from PubChem (CID 154209474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).