(2S)-3-[(6S)-2-ethyl-6-methylcyclohexa-1,3-dien-1-yl]-2,4,4-trimethyl-1-phenylimidazolidine

C21H30N2 — CID 155376000

IUPAC(2S)-3-[(6S)-2-ethyl-6-methylcyclohexa-1,3-dien-1-yl]-2,4,4-trimethyl-1-phenylimidazolidine
SMILESCCC1=C(N2[C@@H](C)N(c3ccccc3)CC2(C)C)[C@@H](C)CC=C1
InChIInChI=1S/C21H30N2/c1-6-18-12-10-11-16(2)20(18)23-17(3)22(15-21(23,4)5)19-13-8-7-9-14-19/h7-10,12-14,16-17H,6,11,15H2,1-5H3/t16-,17-/m0/s1
InChIKeyRQRXTPNJCOHWNC-IRXDYDNUSA-N
MW310.49 g/mol
LogP5.19
Rot. Bonds3

About (2S)-3-[(6S)-2-ethyl-6-methylcyclohexa-1,3-dien-1-yl]-2,4,4-trimethyl-1-phenylimidazolidine

(2S)-3-[(6S)-2-ethyl-6-methylcyclohexa-1,3-dien-1-yl]-2,4,4-trimethyl-1-phenylimidazolidine (PubChem CID 155376000) has the molecular formula C21H30N2 and a molecular weight of 310.49 g/mol. Its IUPAC name is (2S)-3-[(6S)-2-ethyl-6-methylcyclohexa-1,3-dien-1-yl]-2,4,4-trimethyl-1-phenylimidazolidine.

Molecular Properties

Compound Name(2S)-3-[(6S)-2-ethyl-6-methylcyclohexa-1,3-dien-1-yl]-2,4,4-trimethyl-1-phenylimidazolidine
PubChem CID155376000
Molecular FormulaC21H30N2
Molecular Weight310.49 g/mol
Exact Mass310.24
IUPAC Name(2S)-3-[(6S)-2-ethyl-6-methylcyclohexa-1,3-dien-1-yl]-2,4,4-trimethyl-1-phenylimidazolidine
SMILESCCC1=C(N2[C@@H](C)N(c3ccccc3)CC2(C)C)[C@@H](C)CC=C1
InChIInChI=1S/C21H30N2/c1-6-18-12-10-11-16(2)20(18)23-17(3)22(15-21(23,4)5)19-13-8-7-9-14-19/h7-10,12-14,16-17H,6,11,15H2,1-5H3/t16-,17-/m0/s1
InChIKeyRQRXTPNJCOHWNC-IRXDYDNUSA-N
XLogP5.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.49
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(6S)-2-ethyl-6-methylcyclohexa-1,3-dien-1-yl]-2,4,4-trimethyl-1-phenylimidazolidine?
The IUPAC name of (2S)-3-[(6S)-2-ethyl-6-methylcyclohexa-1,3-dien-1-yl]-2,4,4-trimethyl-1-phenylimidazolidine (CID 155376000) is (2S)-3-[(6S)-2-ethyl-6-methylcyclohexa-1,3-dien-1-yl]-2,4,4-trimethyl-1-phenylimidazolidine.
What is the SMILES notation for (2S)-3-[(6S)-2-ethyl-6-methylcyclohexa-1,3-dien-1-yl]-2,4,4-trimethyl-1-phenylimidazolidine?
The canonical SMILES for (2S)-3-[(6S)-2-ethyl-6-methylcyclohexa-1,3-dien-1-yl]-2,4,4-trimethyl-1-phenylimidazolidine is CCC1=C(N2[C@@H](C)N(c3ccccc3)CC2(C)C)[C@@H](C)CC=C1.
What is the InChIKey of (2S)-3-[(6S)-2-ethyl-6-methylcyclohexa-1,3-dien-1-yl]-2,4,4-trimethyl-1-phenylimidazolidine?
The InChIKey is RQRXTPNJCOHWNC-IRXDYDNUSA-N. The full InChI is InChI=1S/C21H30N2/c1-6-18-12-10-11-16(2)20(18)23-17(3)22(15-21(23,4)5)19-13-8-7-9-14-19/h7-10,12-14,16-17H,6,11,15H2,1-5H3/t16-,17-/m0/s1.
What are the key properties of (2S)-3-[(6S)-2-ethyl-6-methylcyclohexa-1,3-dien-1-yl]-2,4,4-trimethyl-1-phenylimidazolidine?
(2S)-3-[(6S)-2-ethyl-6-methylcyclohexa-1,3-dien-1-yl]-2,4,4-trimethyl-1-phenylimidazolidine has a molecular weight of 310.49 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(6S)-2-ethyl-6-methylcyclohexa-1,3-dien-1-yl]-2,4,4-trimethyl-1-phenylimidazolidine is sourced from PubChem (CID 155376000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).