4a,7-dimethyl-5,6-dihydrocyclohepta[b]pyridine;ethane

C14H21N — CID 142805224

IUPAC4a,7-dimethyl-5,6-dihydrocyclohepta[b]pyridine;ethane
SMILESCC.CC1=CC=C2N=CC=CC2(C)CC1
InChIInChI=1S/C12H15N.C2H6/c1-10-4-5-11-12(2,8-6-10)7-3-9-13-11;1-2/h3-5,7,9H,6,8H2,1-2H3;1-2H3
InChIKeyOZEUGHTWTKZUQX-UHFFFAOYSA-N
MW203.33 g/mol
LogP4.28
Rot. Bonds

About 4a,7-dimethyl-5,6-dihydrocyclohepta[b]pyridine;ethane

4a,7-dimethyl-5,6-dihydrocyclohepta[b]pyridine;ethane (PubChem CID 142805224) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 4a,7-dimethyl-5,6-dihydrocyclohepta[b]pyridine;ethane.

Molecular Properties

Compound Name4a,7-dimethyl-5,6-dihydrocyclohepta[b]pyridine;ethane
PubChem CID142805224
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name4a,7-dimethyl-5,6-dihydrocyclohepta[b]pyridine;ethane
SMILESCC.CC1=CC=C2N=CC=CC2(C)CC1
InChIInChI=1S/C12H15N.C2H6/c1-10-4-5-11-12(2,8-6-10)7-3-9-13-11;1-2/h3-5,7,9H,6,8H2,1-2H3;1-2H3
InChIKeyOZEUGHTWTKZUQX-UHFFFAOYSA-N
XLogP4.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 14927385
Dihydrodibenzazepine
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CID 54252407
5-tert-butyl-4H-indol-6-amine
CID 67269998
1,8,8-Trimethyl-4,9-dihydro-2-benzazepine
CID 67715130
N-(2-ethyl-3,3,6-trimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine
CID 67968391
N-[(2Z,4E,6E)-7-methyl-4-(2-methylbutyl)nona-2,4,6,8-tetraen-3-yl]prop-2-en-1-imine
CID 88267020
N-[(2Z,4Z)-6-ethylnona-2,4-dien-5-yl]ethanimine
CID 89186964
6-(2,2-Dimethylbutyl)-2-azabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraene
CID 90747631
3-Ethyl-3,7-dimethyl-4,5,8,9-tetrahydro-1-benzazepine
CID 90906755
3,5-Dimethyl-7-(2-methylbutyl)-3-(3-methylbutyl)azepine
CID 91138427
2,3-Di(ethylidene)-4-propan-2-ylpyridine
CID 91324852

Frequently Asked Questions

What is the IUPAC name of 4a,7-dimethyl-5,6-dihydrocyclohepta[b]pyridine;ethane?
The IUPAC name of 4a,7-dimethyl-5,6-dihydrocyclohepta[b]pyridine;ethane (CID 142805224) is 4a,7-dimethyl-5,6-dihydrocyclohepta[b]pyridine;ethane.
What is the SMILES notation for 4a,7-dimethyl-5,6-dihydrocyclohepta[b]pyridine;ethane?
The canonical SMILES for 4a,7-dimethyl-5,6-dihydrocyclohepta[b]pyridine;ethane is CC.CC1=CC=C2N=CC=CC2(C)CC1.
What is the InChIKey of 4a,7-dimethyl-5,6-dihydrocyclohepta[b]pyridine;ethane?
The InChIKey is OZEUGHTWTKZUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C2H6/c1-10-4-5-11-12(2,8-6-10)7-3-9-13-11;1-2/h3-5,7,9H,6,8H2,1-2H3;1-2H3.
What are the key properties of 4a,7-dimethyl-5,6-dihydrocyclohepta[b]pyridine;ethane?
4a,7-dimethyl-5,6-dihydrocyclohepta[b]pyridine;ethane has a molecular weight of 203.33 g/mol, XLogP of 4.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,7-dimethyl-5,6-dihydrocyclohepta[b]pyridine;ethane is sourced from PubChem (CID 142805224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).