6-tert-butyl-3-propan-2-yl-3,4-dihydropyridine;ethane

C14H27N — CID 143574724

IUPAC6-tert-butyl-3-propan-2-yl-3,4-dihydropyridine;ethane
SMILESCC.CC(C)C1C=NC(C(C)(C)C)=CC1
InChIInChI=1S/C12H21N.C2H6/c1-9(2)10-6-7-11(13-8-10)12(3,4)5;1-2/h7-10H,6H2,1-5H3;1-2H3
InChIKeyBONWIFSFIBCYPR-UHFFFAOYSA-N
MW209.38 g/mol
LogP4.69
Rot. Bonds1

About 6-tert-butyl-3-propan-2-yl-3,4-dihydropyridine;ethane

6-tert-butyl-3-propan-2-yl-3,4-dihydropyridine;ethane (PubChem CID 143574724) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 6-tert-butyl-3-propan-2-yl-3,4-dihydropyridine;ethane.

Molecular Properties

Compound Name6-tert-butyl-3-propan-2-yl-3,4-dihydropyridine;ethane
PubChem CID143574724
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name6-tert-butyl-3-propan-2-yl-3,4-dihydropyridine;ethane
SMILESCC.CC(C)C1C=NC(C(C)(C)C)=CC1
InChIInChI=1S/C12H21N.C2H6/c1-9(2)10-6-7-11(13-8-10)12(3,4)5;1-2/h7-10H,6H2,1-5H3;1-2H3
InChIKeyBONWIFSFIBCYPR-UHFFFAOYSA-N
XLogP4.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-Fluorohexa-1,5-dien-3-yl)-6-methyl-3,4-dihydropyridine
CID 144727290
6-Tert-butyl-3,4-dihydropyridine
CID 14979259
4-Ethyl-6-methyl-3,4-dihydropyridine
CID 57076451
5-(3-methyl-2-propan-2-ylbutyl)-3H-pyrrole
CID 58164963
5-tert-butyl-3-ethyl-3H-pyrrole
CID 59669491
3,4,6-Trimethyl-3,4-dihydropyridine
CID 59701053
3,3,4,4,6-Pentamethylpyridine
CID 67362875
(3S)-3,4,6-trimethyl-3,4-dihydropyridine
CID 68330621
6-Ethyl-4-methyl-3,4-dihydropyridine
CID 89240113
6-Ethyl-3-methyl-3,4-dihydropyridine
CID 89379865
5-(2-methylpentan-3-yl)-3H-pyrrole
CID 89727930
3,5-di(propan-2-yl)-3H-pyrrole
CID 89931994

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-propan-2-yl-3,4-dihydropyridine;ethane?
The IUPAC name of 6-tert-butyl-3-propan-2-yl-3,4-dihydropyridine;ethane (CID 143574724) is 6-tert-butyl-3-propan-2-yl-3,4-dihydropyridine;ethane.
What is the SMILES notation for 6-tert-butyl-3-propan-2-yl-3,4-dihydropyridine;ethane?
The canonical SMILES for 6-tert-butyl-3-propan-2-yl-3,4-dihydropyridine;ethane is CC.CC(C)C1C=NC(C(C)(C)C)=CC1.
What is the InChIKey of 6-tert-butyl-3-propan-2-yl-3,4-dihydropyridine;ethane?
The InChIKey is BONWIFSFIBCYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N.C2H6/c1-9(2)10-6-7-11(13-8-10)12(3,4)5;1-2/h7-10H,6H2,1-5H3;1-2H3.
What are the key properties of 6-tert-butyl-3-propan-2-yl-3,4-dihydropyridine;ethane?
6-tert-butyl-3-propan-2-yl-3,4-dihydropyridine;ethane has a molecular weight of 209.38 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-propan-2-yl-3,4-dihydropyridine;ethane is sourced from PubChem (CID 143574724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).