N,N-dimethyl-1-[2-[(E)-3-phenylprop-2-enyl]selanylcyclopenta-2,4-dien-1-yl]ethanamine

C18H23NSe — CID 139266431

IUPACN,N-dimethyl-1-[2-[(E)-3-phenylprop-2-enyl]selanylcyclopenta-2,4-dien-1-yl]ethanamine
SMILESCC(C1C=CC=C1[Se]C/C=C/c1ccccc1)N(C)C
InChIInChI=1S/C18H23NSe/c1-15(19(2)3)17-12-7-13-18(17)20-14-8-11-16-9-5-4-6-10-16/h4-13,15,17H,14H2,1-3H3/b11-8+
InChIKeyKGHKJUFVLZRSKW-DHZHZOJOSA-N
MW332.35 g/mol
LogP3.84
Rot. Bonds6

About N,N-dimethyl-1-[2-[(E)-3-phenylprop-2-enyl]selanylcyclopenta-2,4-dien-1-yl]ethanamine

N,N-dimethyl-1-[2-[(E)-3-phenylprop-2-enyl]selanylcyclopenta-2,4-dien-1-yl]ethanamine (PubChem CID 139266431) has the molecular formula C18H23NSe and a molecular weight of 332.35 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-[(E)-3-phenylprop-2-enyl]selanylcyclopenta-2,4-dien-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-[(E)-3-phenylprop-2-enyl]selanylcyclopenta-2,4-dien-1-yl]ethanamine
PubChem CID139266431
Molecular FormulaC18H23NSe
Molecular Weight332.35 g/mol
Exact Mass333.10
IUPAC NameN,N-dimethyl-1-[2-[(E)-3-phenylprop-2-enyl]selanylcyclopenta-2,4-dien-1-yl]ethanamine
SMILESCC(C1C=CC=C1[Se]C/C=C/c1ccccc1)N(C)C
InChIInChI=1S/C18H23NSe/c1-15(19(2)3)17-12-7-13-18(17)20-14-8-11-16-9-5-4-6-10-16/h4-13,15,17H,14H2,1-3H3/b11-8+
InChIKeyKGHKJUFVLZRSKW-DHZHZOJOSA-N
XLogP3.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 10917390
CID 10917390
(1R)-N,N-dimethyl-1-[2-[[(2R)-oxolan-2-yl]methylselanyl]cyclopenta-2,4-dien-1-yl]ethanamine
CID 101081109
[(E)-3-[[(E)-3-phenylprop-2-enyl]diselanyl]prop-1-enyl]benzene
CID 132528237
(1R)-1-[2-[[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]disulfanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
CID 102187363
4-chloropent-1-enylbenzene
CID 66808272
N,N-dimethylmethanamine;stilbene
CID 174368184
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
(E)-5-phenylpent-4-en-2-amine
CID 55254237
(E)-N-chloro-N-methyl-6-phenylhex-5-en-2-amine
CID 14924550
benzene;but-1-enylbenzene
CID 157481332
[(E)-3-methylsulfanylprop-1-enyl]benzene
CID 5370626
3-(disulfanyl)prop-1-enylbenzene
CID 173164677

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-[(E)-3-phenylprop-2-enyl]selanylcyclopenta-2,4-dien-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-1-[2-[(E)-3-phenylprop-2-enyl]selanylcyclopenta-2,4-dien-1-yl]ethanamine (CID 139266431) is N,N-dimethyl-1-[2-[(E)-3-phenylprop-2-enyl]selanylcyclopenta-2,4-dien-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-1-[2-[(E)-3-phenylprop-2-enyl]selanylcyclopenta-2,4-dien-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-1-[2-[(E)-3-phenylprop-2-enyl]selanylcyclopenta-2,4-dien-1-yl]ethanamine is CC(C1C=CC=C1[Se]C/C=C/c1ccccc1)N(C)C.
What is the InChIKey of N,N-dimethyl-1-[2-[(E)-3-phenylprop-2-enyl]selanylcyclopenta-2,4-dien-1-yl]ethanamine?
The InChIKey is KGHKJUFVLZRSKW-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H23NSe/c1-15(19(2)3)17-12-7-13-18(17)20-14-8-11-16-9-5-4-6-10-16/h4-13,15,17H,14H2,1-3H3/b11-8+.
What are the key properties of N,N-dimethyl-1-[2-[(E)-3-phenylprop-2-enyl]selanylcyclopenta-2,4-dien-1-yl]ethanamine?
N,N-dimethyl-1-[2-[(E)-3-phenylprop-2-enyl]selanylcyclopenta-2,4-dien-1-yl]ethanamine has a molecular weight of 332.35 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-[(E)-3-phenylprop-2-enyl]selanylcyclopenta-2,4-dien-1-yl]ethanamine is sourced from PubChem (CID 139266431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).