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

C14H21N — CID 156794156

IUPAC1,6-dimethyl-6-propan-2-yl-2,3-dihydrocyclohepta[b]pyrrole
SMILESCC(C)C1(C)C=CC2=C(C=C1)N(C)CC2
InChIInChI=1S/C14H21N/c1-11(2)14(3)8-5-12-7-10-15(4)13(12)6-9-14/h5-6,8-9,11H,7,10H2,1-4H3
InChIKeyHAKGPJNYFYCFBK-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.36
Rot. Bonds1

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

1,6-dimethyl-6-propan-2-yl-2,3-dihydrocyclohepta[b]pyrrole (PubChem CID 156794156) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 1,6-dimethyl-6-propan-2-yl-2,3-dihydrocyclohepta[b]pyrrole.

Molecular Properties

Compound Name1,6-dimethyl-6-propan-2-yl-2,3-dihydrocyclohepta[b]pyrrole
PubChem CID156794156
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name1,6-dimethyl-6-propan-2-yl-2,3-dihydrocyclohepta[b]pyrrole
SMILESCC(C)C1(C)C=CC2=C(C=C1)N(C)CC2
InChIInChI=1S/C14H21N/c1-11(2)14(3)8-5-12-7-10-15(4)13(12)6-9-14/h5-6,8-9,11H,7,10H2,1-4H3
InChIKeyHAKGPJNYFYCFBK-UHFFFAOYSA-N
XLogP3.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 91364666
(4Z)-N-[1-(3,4-dimethylcyclohepta-1,5,6-trien-1-yl)ethenyl]-N,2-dimethyl-3-prop-1-enylidenehepta-4,6-dien-1-amine
CID 124192317
1-[(3Z)-penta-1,3-dien-2-yl]-3,8-dihydro-2H-cyclohepta[b]pyrrole
CID 129015104
4-[(E)-3-(5,5-dimethylcyclopenta-1,3-dien-1-yl)but-1-enyl]-1,5-dimethyl-3-methylidene-2H-pyrrole
CID 129272937
(2E)-2-[(E)-but-2-enylidene]-1-butyl-3,3-dimethyl-8H-cyclohepta[b]pyrrole
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
1-[(3E)-4-propan-2-ylhexa-1,3,5-trien-3-yl]pyrrolidine
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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-6-propan-2-yl-2,3-dihydrocyclohepta[b]pyrrole?
The IUPAC name of 1,6-dimethyl-6-propan-2-yl-2,3-dihydrocyclohepta[b]pyrrole (CID 156794156) is 1,6-dimethyl-6-propan-2-yl-2,3-dihydrocyclohepta[b]pyrrole.
What is the SMILES notation for 1,6-dimethyl-6-propan-2-yl-2,3-dihydrocyclohepta[b]pyrrole?
The canonical SMILES for 1,6-dimethyl-6-propan-2-yl-2,3-dihydrocyclohepta[b]pyrrole is 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?
The InChIKey is HAKGPJNYFYCFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-11(2)14(3)8-5-12-7-10-15(4)13(12)6-9-14/h5-6,8-9,11H,7,10H2,1-4H3.
What are the key properties of 1,6-dimethyl-6-propan-2-yl-2,3-dihydrocyclohepta[b]pyrrole?
1,6-dimethyl-6-propan-2-yl-2,3-dihydrocyclohepta[b]pyrrole has a molecular weight of 203.33 g/mol, XLogP of 3.36, 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 is sourced from PubChem (CID 156794156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).