1,6-dimethyl-6-propan-2-yl-2,3-dihydrocyclohepta[b]pyrrole;ethane

C16H27N — CID 156794155

IUPAC1,6-dimethyl-6-propan-2-yl-2,3-dihydrocyclohepta[b]pyrrole;ethane
SMILESCC.CC(C)C1(C)C=CC2=C(C=C1)N(C)CC2
InChIInChI=1S/C14H21N.C2H6/c1-11(2)14(3)8-5-12-7-10-15(4)13(12)6-9-14;1-2/h5-6,8-9,11H,7,10H2,1-4H3;1-2H3
InChIKeySYCJCPPXUUJZTJ-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.39
Rot. Bonds1

About 1,6-dimethyl-6-propan-2-yl-2,3-dihydrocyclohepta[b]pyrrole;ethane

1,6-dimethyl-6-propan-2-yl-2,3-dihydrocyclohepta[b]pyrrole;ethane (PubChem CID 156794155) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 1,6-dimethyl-6-propan-2-yl-2,3-dihydrocyclohepta[b]pyrrole;ethane.

Molecular Properties

Compound Name1,6-dimethyl-6-propan-2-yl-2,3-dihydrocyclohepta[b]pyrrole;ethane
PubChem CID156794155
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name1,6-dimethyl-6-propan-2-yl-2,3-dihydrocyclohepta[b]pyrrole;ethane
SMILESCC.CC(C)C1(C)C=CC2=C(C=C1)N(C)CC2
InChIInChI=1S/C14H21N.C2H6/c1-11(2)14(3)8-5-12-7-10-15(4)13(12)6-9-14;1-2/h5-6,8-9,11H,7,10H2,1-4H3;1-2H3
InChIKeySYCJCPPXUUJZTJ-UHFFFAOYSA-N
XLogP4.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 91312215
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CID 124192317
4-[(E)-3-(5,5-dimethylcyclopenta-1,3-dien-1-yl)but-1-enyl]-1,5-dimethyl-3-methylidene-2H-pyrrole
CID 129272937
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CID 134309931
4-ethenyl-1,3-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole
CID 134425367
1,6,6-Trimethyl-2,3-dihydrocyclohepta[b]pyrrole
CID 141991458
1,7-dimethyl-7-propan-2-yl-3,4-dihydro-2H-cyclohepta[b]pyridine;ethane
CID 142056933
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CID 142373876
2,7-dimethyl-7-propan-2-yl-3,4-dihydro-1H-cyclohepta[c]pyridine
CID 142990502
Ethane;2-ethylidene-1,3,3,7,7-pentamethylcyclohepta[b]pyrrole
CID 143149882
ethane;1-methyl-3,6-dihydro-2H-cyclohepta[b]pyrrole
CID 143479526
1,6-dimethyl-3,6-dihydro-2H-cyclohepta[b]pyrrole
CID 143655105

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-6-propan-2-yl-2,3-dihydrocyclohepta[b]pyrrole;ethane?
The IUPAC name of 1,6-dimethyl-6-propan-2-yl-2,3-dihydrocyclohepta[b]pyrrole;ethane (CID 156794155) is 1,6-dimethyl-6-propan-2-yl-2,3-dihydrocyclohepta[b]pyrrole;ethane.
What is the SMILES notation for 1,6-dimethyl-6-propan-2-yl-2,3-dihydrocyclohepta[b]pyrrole;ethane?
The canonical SMILES for 1,6-dimethyl-6-propan-2-yl-2,3-dihydrocyclohepta[b]pyrrole;ethane is CC.CC(C)C1(C)C=CC2=C(C=C1)N(C)CC2.
What is the InChIKey of 1,6-dimethyl-6-propan-2-yl-2,3-dihydrocyclohepta[b]pyrrole;ethane?
The InChIKey is SYCJCPPXUUJZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N.C2H6/c1-11(2)14(3)8-5-12-7-10-15(4)13(12)6-9-14;1-2/h5-6,8-9,11H,7,10H2,1-4H3;1-2H3.
What are the key properties of 1,6-dimethyl-6-propan-2-yl-2,3-dihydrocyclohepta[b]pyrrole;ethane?
1,6-dimethyl-6-propan-2-yl-2,3-dihydrocyclohepta[b]pyrrole;ethane has a molecular weight of 233.40 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-6-propan-2-yl-2,3-dihydrocyclohepta[b]pyrrole;ethane is sourced from PubChem (CID 156794155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).