2-methyl-7-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]

C15H21N — CID 156637555

IUPAC2-methyl-7-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]
SMILESCC(C)c1ccc2c(c1)CN(C)CC21CC1
InChIInChI=1S/C15H21N/c1-11(2)12-4-5-14-13(8-12)9-16(3)10-15(14)6-7-15/h4-5,8,11H,6-7,9-10H2,1-3H3
InChIKeyJFRDOMJGBANJKU-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.29
Rot. Bonds1

About 2-methyl-7-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]

2-methyl-7-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane] (PubChem CID 156637555) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-methyl-7-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane].

Molecular Properties

Compound Name2-methyl-7-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]
PubChem CID156637555
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name2-methyl-7-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]
SMILESCC(C)c1ccc2c(c1)CN(C)CC21CC1
InChIInChI=1S/C15H21N/c1-11(2)12-4-5-14-13(8-12)9-16(3)10-15(14)6-7-15/h4-5,8,11H,6-7,9-10H2,1-3H3
InChIKeyJFRDOMJGBANJKU-UHFFFAOYSA-N
XLogP3.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-amine
CID 155362648
acetaldehyde;ethane;2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 176703540
1',6-di(propan-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]
CID 170688151
2-methyl-6-propan-2-ylspiro[3H-isoquinoline-4,1'-cyclopropane]-1-one
CID 171660016
2-methyl-6-propylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]
CID 170254660
1,1-dimethyl-2,6-di(propan-2-yl)-3,4-dihydroisoquinoline
CID 155709769
4-methyl-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine
CID 162779134
7-propan-2-yl-2-propyl-3,4-dihydro-1H-isoquinoline
CID 157149924
2-methyl-5,7-di(propan-2-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 118055205
6-propan-2-ylspiro[2H-indene-3,1'-cyclopropane]-1-one
CID 83753374
2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline-4-carbonitrile
CID 138530408
2-(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 82582032

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]?
The IUPAC name of 2-methyl-7-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane] (CID 156637555) is 2-methyl-7-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane].
What is the SMILES notation for 2-methyl-7-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]?
The canonical SMILES for 2-methyl-7-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane] is CC(C)c1ccc2c(c1)CN(C)CC21CC1.
What is the InChIKey of 2-methyl-7-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]?
The InChIKey is JFRDOMJGBANJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-11(2)12-4-5-14-13(8-12)9-16(3)10-15(14)6-7-15/h4-5,8,11H,6-7,9-10H2,1-3H3.
What are the key properties of 2-methyl-7-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]?
2-methyl-7-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane] has a molecular weight of 215.34 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane] is sourced from PubChem (CID 156637555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).