(1R)-N,N-dimethyl-1-[2-[[(2R)-oxolan-2-yl]methylselanyl]cyclopenta-2,4-dien-1-yl]ethanamine

C14H23NOSe — CID 101081109

IUPAC(1R)-N,N-dimethyl-1-[2-[[(2R)-oxolan-2-yl]methylselanyl]cyclopenta-2,4-dien-1-yl]ethanamine
SMILESC[C@H](C1C=CC=C1[Se]C[C@H]1CCCO1)N(C)C
InChIInChI=1S/C14H23NOSe/c1-11(15(2)3)13-7-4-8-14(13)17-10-12-6-5-9-16-12/h4,7-8,11-13H,5-6,9-10H2,1-3H3/t11-,12-,13?/m1/s1
InChIKeyZMKYCALXWOLZIC-ZNRZSNADSA-N
MW300.30 g/mol
LogP2.31
Rot. Bonds5

About (1R)-N,N-dimethyl-1-[2-[[(2R)-oxolan-2-yl]methylselanyl]cyclopenta-2,4-dien-1-yl]ethanamine

(1R)-N,N-dimethyl-1-[2-[[(2R)-oxolan-2-yl]methylselanyl]cyclopenta-2,4-dien-1-yl]ethanamine (PubChem CID 101081109) has the molecular formula C14H23NOSe and a molecular weight of 300.30 g/mol. Its IUPAC name is (1R)-N,N-dimethyl-1-[2-[[(2R)-oxolan-2-yl]methylselanyl]cyclopenta-2,4-dien-1-yl]ethanamine.

Molecular Properties

Compound Name(1R)-N,N-dimethyl-1-[2-[[(2R)-oxolan-2-yl]methylselanyl]cyclopenta-2,4-dien-1-yl]ethanamine
PubChem CID101081109
Molecular FormulaC14H23NOSe
Molecular Weight300.30 g/mol
Exact Mass301.09
IUPAC Name(1R)-N,N-dimethyl-1-[2-[[(2R)-oxolan-2-yl]methylselanyl]cyclopenta-2,4-dien-1-yl]ethanamine
SMILESC[C@H](C1C=CC=C1[Se]C[C@H]1CCCO1)N(C)C
InChIInChI=1S/C14H23NOSe/c1-11(15(2)3)13-7-4-8-14(13)17-10-12-6-5-9-16-12/h4,7-8,11-13H,5-6,9-10H2,1-3H3/t11-,12-,13?/m1/s1
InChIKeyZMKYCALXWOLZIC-ZNRZSNADSA-N
XLogP2.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R)-N,N-dimethyl-1-[2-[[(2R)-oxolan-2-yl]methylselanyl]cyclopenta-2,4-dien-1-yl]ethanamine with MolForge

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Related Compounds

CID 11797074
CID 11797074
N,N-dimethyl-1-[2-[(E)-3-phenylprop-2-enyl]selanylcyclopenta-2,4-dien-1-yl]ethanamine
CID 139266431
(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
N,N-dimethyl-N'-(oxolan-2-ylmethyl)-1-phenylethane-1,2-diamine
CID 78914378
N,N-dimethyl-1-[(2S)-oxolan-2-yl]methanamine
CID 89026085
1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine
CID 124860098
N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 22975536
trans-(1S,2S)-2-[methyl(oxan-2-ylmethyl)amino]cyclopentan-1-ol
CID 102734490
(2R)-2-(2-methylpropyl)oxane
CID 58653197
(2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol
CID 103935026
N,N-dimethyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline
CID 834270
1-N,2-N-dimethyl-2-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexane-1,2-diamine
CID 55106006

Frequently Asked Questions

What is the IUPAC name of (1R)-N,N-dimethyl-1-[2-[[(2R)-oxolan-2-yl]methylselanyl]cyclopenta-2,4-dien-1-yl]ethanamine?
The IUPAC name of (1R)-N,N-dimethyl-1-[2-[[(2R)-oxolan-2-yl]methylselanyl]cyclopenta-2,4-dien-1-yl]ethanamine (CID 101081109) is (1R)-N,N-dimethyl-1-[2-[[(2R)-oxolan-2-yl]methylselanyl]cyclopenta-2,4-dien-1-yl]ethanamine.
What is the SMILES notation for (1R)-N,N-dimethyl-1-[2-[[(2R)-oxolan-2-yl]methylselanyl]cyclopenta-2,4-dien-1-yl]ethanamine?
The canonical SMILES for (1R)-N,N-dimethyl-1-[2-[[(2R)-oxolan-2-yl]methylselanyl]cyclopenta-2,4-dien-1-yl]ethanamine is C[C@H](C1C=CC=C1[Se]C[C@H]1CCCO1)N(C)C.
What is the InChIKey of (1R)-N,N-dimethyl-1-[2-[[(2R)-oxolan-2-yl]methylselanyl]cyclopenta-2,4-dien-1-yl]ethanamine?
The InChIKey is ZMKYCALXWOLZIC-ZNRZSNADSA-N. The full InChI is InChI=1S/C14H23NOSe/c1-11(15(2)3)13-7-4-8-14(13)17-10-12-6-5-9-16-12/h4,7-8,11-13H,5-6,9-10H2,1-3H3/t11-,12-,13?/m1/s1.
What are the key properties of (1R)-N,N-dimethyl-1-[2-[[(2R)-oxolan-2-yl]methylselanyl]cyclopenta-2,4-dien-1-yl]ethanamine?
(1R)-N,N-dimethyl-1-[2-[[(2R)-oxolan-2-yl]methylselanyl]cyclopenta-2,4-dien-1-yl]ethanamine has a molecular weight of 300.30 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N,N-dimethyl-1-[2-[[(2R)-oxolan-2-yl]methylselanyl]cyclopenta-2,4-dien-1-yl]ethanamine is sourced from PubChem (CID 101081109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).