(Z)-N,N-dimethyl-2,3-bis(phenylselanyl)prop-2-en-1-amine

C17H19NSe2 — CID 6420923

IUPAC(Z)-N,N-dimethyl-2,3-bis(phenylselanyl)prop-2-en-1-amine
SMILESCN(C)C/C(=C/[Se]c1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C17H19NSe2/c1-18(2)13-17(20-16-11-7-4-8-12-16)14-19-15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3/b17-14-
InChIKeyCHDJWXCKSVUBDU-VKAVYKQESA-N
MW395.27 g/mol
LogP1.45
Rot. Bonds6

About (Z)-N,N-dimethyl-2,3-bis(phenylselanyl)prop-2-en-1-amine

(Z)-N,N-dimethyl-2,3-bis(phenylselanyl)prop-2-en-1-amine (PubChem CID 6420923) has the molecular formula C17H19NSe2 and a molecular weight of 395.27 g/mol. Its IUPAC name is (Z)-N,N-dimethyl-2,3-bis(phenylselanyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N,N-dimethyl-2,3-bis(phenylselanyl)prop-2-en-1-amine
PubChem CID6420923
Molecular FormulaC17H19NSe2
Molecular Weight395.27 g/mol
Exact Mass396.98
IUPAC Name(Z)-N,N-dimethyl-2,3-bis(phenylselanyl)prop-2-en-1-amine
SMILESCN(C)C/C(=C/[Se]c1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C17H19NSe2/c1-18(2)13-17(20-16-11-7-4-8-12-16)14-19-15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3/b17-14-
InChIKeyCHDJWXCKSVUBDU-VKAVYKQESA-N
XLogP1.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.27
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-dimethyl-2,3-bis(phenylselanyl)prop-2-en-1-amine?
The IUPAC name of (Z)-N,N-dimethyl-2,3-bis(phenylselanyl)prop-2-en-1-amine (CID 6420923) is (Z)-N,N-dimethyl-2,3-bis(phenylselanyl)prop-2-en-1-amine.
What is the SMILES notation for (Z)-N,N-dimethyl-2,3-bis(phenylselanyl)prop-2-en-1-amine?
The canonical SMILES for (Z)-N,N-dimethyl-2,3-bis(phenylselanyl)prop-2-en-1-amine is CN(C)C/C(=C/[Se]c1ccccc1)[Se]c1ccccc1.
What is the InChIKey of (Z)-N,N-dimethyl-2,3-bis(phenylselanyl)prop-2-en-1-amine?
The InChIKey is CHDJWXCKSVUBDU-VKAVYKQESA-N. The full InChI is InChI=1S/C17H19NSe2/c1-18(2)13-17(20-16-11-7-4-8-12-16)14-19-15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3/b17-14-.
What are the key properties of (Z)-N,N-dimethyl-2,3-bis(phenylselanyl)prop-2-en-1-amine?
(Z)-N,N-dimethyl-2,3-bis(phenylselanyl)prop-2-en-1-amine has a molecular weight of 395.27 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-dimethyl-2,3-bis(phenylselanyl)prop-2-en-1-amine is sourced from PubChem (CID 6420923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).