1,7-dimethyl-2,3,4,5,6,7-hexahydrocyclohepta[b]pyridine

C12H19N — CID 123927490

IUPAC1,7-dimethyl-2,3,4,5,6,7-hexahydrocyclohepta[b]pyridine
SMILESCC1C=CC2=C(CCCN2C)CC1
InChIInChI=1S/C12H19N/c1-10-5-7-11-4-3-9-13(2)12(11)8-6-10/h6,8,10H,3-5,7,9H2,1-2H3
InChIKeyQUQDDYWZERVYSN-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.95
Rot. Bonds

About 1,7-dimethyl-2,3,4,5,6,7-hexahydrocyclohepta[b]pyridine

1,7-dimethyl-2,3,4,5,6,7-hexahydrocyclohepta[b]pyridine (PubChem CID 123927490) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1,7-dimethyl-2,3,4,5,6,7-hexahydrocyclohepta[b]pyridine.

Molecular Properties

Compound Name1,7-dimethyl-2,3,4,5,6,7-hexahydrocyclohepta[b]pyridine
PubChem CID123927490
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1,7-dimethyl-2,3,4,5,6,7-hexahydrocyclohepta[b]pyridine
SMILESCC1C=CC2=C(CCCN2C)CC1
InChIInChI=1S/C12H19N/c1-10-5-7-11-4-3-9-13(2)12(11)8-6-10/h6,8,10H,3-5,7,9H2,1-2H3
InChIKeyQUQDDYWZERVYSN-UHFFFAOYSA-N
XLogP2.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 123490671
N-[1-(2-fluoro-4-propan-2-ylcyclohexa-1,3-dien-1-yl)ethyl]-N-propylpropan-1-amine
CID 168231891
3-Methyl-13-methylidene-3-azabicyclo[7.3.1]trideca-9,11-diene
CID 10608234
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CID 85532089
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CID 28870
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CID 143486913
4-propan-2-yl-1-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)-3,6-dihydro-2H-pyridine
CID 57613172
2,6-dimethyl-7-propan-2-yl-3,4,5,6-tetrahydro-1H-cyclopenta[c]azepine
CID 58179778
2-Methyl-6-propan-2-yl-1,3,4,5-tetrahydrocyclopenta[c]pyridine
CID 58179937
1,4-Dimethyl-2,3,4,5-tetrahydrocyclopenta[b]pyridine
CID 58449484
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CID 60004036

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-2,3,4,5,6,7-hexahydrocyclohepta[b]pyridine?
The IUPAC name of 1,7-dimethyl-2,3,4,5,6,7-hexahydrocyclohepta[b]pyridine (CID 123927490) is 1,7-dimethyl-2,3,4,5,6,7-hexahydrocyclohepta[b]pyridine.
What is the SMILES notation for 1,7-dimethyl-2,3,4,5,6,7-hexahydrocyclohepta[b]pyridine?
The canonical SMILES for 1,7-dimethyl-2,3,4,5,6,7-hexahydrocyclohepta[b]pyridine is CC1C=CC2=C(CCCN2C)CC1.
What is the InChIKey of 1,7-dimethyl-2,3,4,5,6,7-hexahydrocyclohepta[b]pyridine?
The InChIKey is QUQDDYWZERVYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-10-5-7-11-4-3-9-13(2)12(11)8-6-10/h6,8,10H,3-5,7,9H2,1-2H3.
What are the key properties of 1,7-dimethyl-2,3,4,5,6,7-hexahydrocyclohepta[b]pyridine?
1,7-dimethyl-2,3,4,5,6,7-hexahydrocyclohepta[b]pyridine has a molecular weight of 177.29 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-2,3,4,5,6,7-hexahydrocyclohepta[b]pyridine is sourced from PubChem (CID 123927490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).