(1S)-1-[5-[[2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]diselanyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine

C18H28N2Se2 — CID 15204285

IUPAC(1S)-1-[5-[[2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]diselanyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine
SMILESC[C@@H](C1=CC=CC1[Se][Se]C1C=CC=C1[C@H](C)N(C)C)N(C)C
InChIInChI=1S/C18H28N2Se2/c1-13(19(3)4)15-9-7-11-17(15)21-22-18-12-8-10-16(18)14(2)20(5)6/h7-14,17-18H,1-6H3/t13-,14-,17?,18?/m0/s1
InChIKeyOBBZBVDHTTWISS-DIOPXHOYSA-N
MW430.36 g/mol
LogP2.78
Rot. Bonds7

About (1S)-1-[5-[[2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]diselanyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine

(1S)-1-[5-[[2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]diselanyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine (PubChem CID 15204285) has the molecular formula C18H28N2Se2 and a molecular weight of 430.36 g/mol. Its IUPAC name is (1S)-1-[5-[[2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]diselanyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name(1S)-1-[5-[[2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]diselanyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine
PubChem CID15204285
Molecular FormulaC18H28N2Se2
Molecular Weight430.36 g/mol
Exact Mass432.06
IUPAC Name(1S)-1-[5-[[2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]diselanyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine
SMILESC[C@@H](C1=CC=CC1[Se][Se]C1C=CC=C1[C@H](C)N(C)C)N(C)C
InChIInChI=1S/C18H28N2Se2/c1-13(19(3)4)15-9-7-11-17(15)21-22-18-12-8-10-16(18)14(2)20(5)6/h7-14,17-18H,1-6H3/t13-,14-,17?,18?/m0/s1
InChIKeyOBBZBVDHTTWISS-DIOPXHOYSA-N
XLogP2.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S)-1-[5-[[2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]diselanyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]-diphenylmethanol
CID 102351824
2,6-di(propan-2-yl)cyclohexa-2,4-dien-1-ol
CID 123183468
(1S)-1-[2-[(R)-dimethylamino(phenyl)methyl]cyclopenta-2,4-dien-1-yl]ethanol
CID 101152941
(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
1-butan-2-yl-5-(2-methylpropyl)cyclopenta-1,3-diene
CID 169222897
dichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene
CID 174388271
(1R)-1-[2-[chloro(methyl)phosphanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
CID 89256715
methyl-[1-(5-methylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane
CID 21130759
N-methyl-2-propan-2-ylcyclohepta-2,4,6-trien-1-amine
CID 45096214
cyclopenta-1,3-diene;(1R)-1-cyclopenta-1,3-dien-1-yl-N,N-dimethylethanamine;iron
CID 12564947
6-methyl-5-propan-2-ylcyclohexa-2,4-diene-1-carbonitrile
CID 90706145
1-[5-[1-(dimethylamino)ethyl]pyrazin-2-yl]-N,N-dimethylethanamine
CID 67760924

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[[2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]diselanyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine?
The IUPAC name of (1S)-1-[5-[[2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]diselanyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine (CID 15204285) is (1S)-1-[5-[[2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]diselanyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for (1S)-1-[5-[[2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]diselanyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for (1S)-1-[5-[[2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]diselanyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine is C[C@@H](C1=CC=CC1[Se][Se]C1C=CC=C1[C@H](C)N(C)C)N(C)C.
What is the InChIKey of (1S)-1-[5-[[2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]diselanyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine?
The InChIKey is OBBZBVDHTTWISS-DIOPXHOYSA-N. The full InChI is InChI=1S/C18H28N2Se2/c1-13(19(3)4)15-9-7-11-17(15)21-22-18-12-8-10-16(18)14(2)20(5)6/h7-14,17-18H,1-6H3/t13-,14-,17?,18?/m0/s1.
What are the key properties of (1S)-1-[5-[[2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]diselanyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine?
(1S)-1-[5-[[2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]diselanyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine has a molecular weight of 430.36 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[[2-[(1S)-1-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-yl]diselanyl]cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 15204285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).