ethane;7-methyl-1-propan-2-yl-2,3,4,6,7,8-hexahydrocyclohepta[b]pyridine

C18H35N — CID 143477764

IUPACethane;7-methyl-1-propan-2-yl-2,3,4,6,7,8-hexahydrocyclohepta[b]pyridine
SMILESCC.CC.CC1CC=C2CCCN(C(C)C)C2=CC1
InChIInChI=1S/C14H23N.2C2H6/c1-11(2)15-10-4-5-13-8-6-12(3)7-9-14(13)15;2*1-2/h8-9,11-12H,4-7,10H2,1-3H3;2*1-2H3
InChIKeyPFFHPYJQRCVBGQ-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.78
Rot. Bonds1

About ethane;7-methyl-1-propan-2-yl-2,3,4,6,7,8-hexahydrocyclohepta[b]pyridine

ethane;7-methyl-1-propan-2-yl-2,3,4,6,7,8-hexahydrocyclohepta[b]pyridine (PubChem CID 143477764) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is ethane;7-methyl-1-propan-2-yl-2,3,4,6,7,8-hexahydrocyclohepta[b]pyridine.

Molecular Properties

Compound Nameethane;7-methyl-1-propan-2-yl-2,3,4,6,7,8-hexahydrocyclohepta[b]pyridine
PubChem CID143477764
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Nameethane;7-methyl-1-propan-2-yl-2,3,4,6,7,8-hexahydrocyclohepta[b]pyridine
SMILESCC.CC.CC1CC=C2CCCN(C(C)C)C2=CC1
InChIInChI=1S/C14H23N.2C2H6/c1-11(2)15-10-4-5-13-8-6-12(3)7-9-14(13)15;2*1-2/h8-9,11-12H,4-7,10H2,1-3H3;2*1-2H3
InChIKeyPFFHPYJQRCVBGQ-UHFFFAOYSA-N
XLogP5.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-1-propan-2-yl-2,3,4,6,7,8-hexahydrocyclohepta[b]pyridine?
The IUPAC name of ethane;7-methyl-1-propan-2-yl-2,3,4,6,7,8-hexahydrocyclohepta[b]pyridine (CID 143477764) is ethane;7-methyl-1-propan-2-yl-2,3,4,6,7,8-hexahydrocyclohepta[b]pyridine.
What is the SMILES notation for ethane;7-methyl-1-propan-2-yl-2,3,4,6,7,8-hexahydrocyclohepta[b]pyridine?
The canonical SMILES for ethane;7-methyl-1-propan-2-yl-2,3,4,6,7,8-hexahydrocyclohepta[b]pyridine is CC.CC.CC1CC=C2CCCN(C(C)C)C2=CC1.
What is the InChIKey of ethane;7-methyl-1-propan-2-yl-2,3,4,6,7,8-hexahydrocyclohepta[b]pyridine?
The InChIKey is PFFHPYJQRCVBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N.2C2H6/c1-11(2)15-10-4-5-13-8-6-12(3)7-9-14(13)15;2*1-2/h8-9,11-12H,4-7,10H2,1-3H3;2*1-2H3.
What are the key properties of ethane;7-methyl-1-propan-2-yl-2,3,4,6,7,8-hexahydrocyclohepta[b]pyridine?
ethane;7-methyl-1-propan-2-yl-2,3,4,6,7,8-hexahydrocyclohepta[b]pyridine has a molecular weight of 265.48 g/mol, XLogP of 5.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-1-propan-2-yl-2,3,4,6,7,8-hexahydrocyclohepta[b]pyridine is sourced from PubChem (CID 143477764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).