7-(3-tert-butylazetidin-1-yl)-1,2,3,4-tetrahydroquinoline

C16H24N2 — CID 79677091

IUPAC7-(3-tert-butylazetidin-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)C1CN(c2ccc3c(c2)NCCC3)C1
InChIInChI=1S/C16H24N2/c1-16(2,3)13-10-18(11-13)14-7-6-12-5-4-8-17-15(12)9-14/h6-7,9,13,17H,4-5,8,10-11H2,1-3H3
InChIKeyBICXFHMJCBCHFO-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.53
Rot. Bonds1

About 7-(3-tert-butylazetidin-1-yl)-1,2,3,4-tetrahydroquinoline

7-(3-tert-butylazetidin-1-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 79677091) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 7-(3-tert-butylazetidin-1-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-(3-tert-butylazetidin-1-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID79677091
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name7-(3-tert-butylazetidin-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)C1CN(c2ccc3c(c2)NCCC3)C1
InChIInChI=1S/C16H24N2/c1-16(2,3)13-10-18(11-13)14-7-6-12-5-4-8-17-15(12)9-14/h6-7,9,13,17H,4-5,8,10-11H2,1-3H3
InChIKeyBICXFHMJCBCHFO-UHFFFAOYSA-N
XLogP3.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(3-tert-butylazetidin-1-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-(3-tert-butylazetidin-1-yl)-1,2,3,4-tetrahydroquinoline (CID 79677091) is 7-(3-tert-butylazetidin-1-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-(3-tert-butylazetidin-1-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-(3-tert-butylazetidin-1-yl)-1,2,3,4-tetrahydroquinoline is CC(C)(C)C1CN(c2ccc3c(c2)NCCC3)C1.
What is the InChIKey of 7-(3-tert-butylazetidin-1-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is BICXFHMJCBCHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-16(2,3)13-10-18(11-13)14-7-6-12-5-4-8-17-15(12)9-14/h6-7,9,13,17H,4-5,8,10-11H2,1-3H3.
What are the key properties of 7-(3-tert-butylazetidin-1-yl)-1,2,3,4-tetrahydroquinoline?
7-(3-tert-butylazetidin-1-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 244.38 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-tert-butylazetidin-1-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 79677091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).