2,7-dimethyl-7-propan-2-yl-3,4-dihydro-1H-cyclohepta[c]pyridine

C15H23N — CID 142990502

IUPAC2,7-dimethyl-7-propan-2-yl-3,4-dihydro-1H-cyclohepta[c]pyridine
SMILESCC(C)C1(C)C=CC2=C(C=C1)CN(C)CC2
InChIInChI=1S/C15H23N/c1-12(2)15(3)8-5-13-7-10-16(4)11-14(13)6-9-15/h5-6,8-9,12H,7,10-11H2,1-4H3
InChIKeyZERMFPDJBQWZHV-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.41
Rot. Bonds1

About 2,7-dimethyl-7-propan-2-yl-3,4-dihydro-1H-cyclohepta[c]pyridine

2,7-dimethyl-7-propan-2-yl-3,4-dihydro-1H-cyclohepta[c]pyridine (PubChem CID 142990502) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2,7-dimethyl-7-propan-2-yl-3,4-dihydro-1H-cyclohepta[c]pyridine.

Molecular Properties

Compound Name2,7-dimethyl-7-propan-2-yl-3,4-dihydro-1H-cyclohepta[c]pyridine
PubChem CID142990502
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2,7-dimethyl-7-propan-2-yl-3,4-dihydro-1H-cyclohepta[c]pyridine
SMILESCC(C)C1(C)C=CC2=C(C=C1)CN(C)CC2
InChIInChI=1S/C15H23N/c1-12(2)15(3)8-5-13-7-10-16(4)11-14(13)6-9-15/h5-6,8-9,12H,7,10-11H2,1-4H3
InChIKeyZERMFPDJBQWZHV-UHFFFAOYSA-N
XLogP3.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3,4-ditert-butyl-1-methyl-2H-pyridine
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lithium N-ethyl-N-[(3-propan-2-ylbenzene-2-id-1-yl)methyl]ethanamine
CID 57532646
magnesium;N-[(3-tert-butylbenzene-2-id-1-yl)methyl]-N-ethylethanamine;bromide
CID 57533294
lithium N-[(3-tert-butylbenzene-2-id-1-yl)methyl]-N-ethylethanamine
CID 57533847
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CID 57533947

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-7-propan-2-yl-3,4-dihydro-1H-cyclohepta[c]pyridine?
The IUPAC name of 2,7-dimethyl-7-propan-2-yl-3,4-dihydro-1H-cyclohepta[c]pyridine (CID 142990502) is 2,7-dimethyl-7-propan-2-yl-3,4-dihydro-1H-cyclohepta[c]pyridine.
What is the SMILES notation for 2,7-dimethyl-7-propan-2-yl-3,4-dihydro-1H-cyclohepta[c]pyridine?
The canonical SMILES for 2,7-dimethyl-7-propan-2-yl-3,4-dihydro-1H-cyclohepta[c]pyridine is CC(C)C1(C)C=CC2=C(C=C1)CN(C)CC2.
What is the InChIKey of 2,7-dimethyl-7-propan-2-yl-3,4-dihydro-1H-cyclohepta[c]pyridine?
The InChIKey is ZERMFPDJBQWZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-12(2)15(3)8-5-13-7-10-16(4)11-14(13)6-9-15/h5-6,8-9,12H,7,10-11H2,1-4H3.
What are the key properties of 2,7-dimethyl-7-propan-2-yl-3,4-dihydro-1H-cyclohepta[c]pyridine?
2,7-dimethyl-7-propan-2-yl-3,4-dihydro-1H-cyclohepta[c]pyridine has a molecular weight of 217.36 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-7-propan-2-yl-3,4-dihydro-1H-cyclohepta[c]pyridine is sourced from PubChem (CID 142990502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).