2-(cyclopropylmethyl)-3-methylidene-1,4,4a,5-tetrahydroisoquinoline

C14H19N — CID 134474722

IUPAC2-(cyclopropylmethyl)-3-methylidene-1,4,4a,5-tetrahydroisoquinoline
SMILESC=C1CC2CC=CC=C2CN1CC1CC1
InChIInChI=1S/C14H19N/c1-11-8-13-4-2-3-5-14(13)10-15(11)9-12-6-7-12/h2-3,5,12-13H,1,4,6-10H2
InChIKeyHMIOWXLKJPRKCW-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.12
Rot. Bonds2

About 2-(cyclopropylmethyl)-3-methylidene-1,4,4a,5-tetrahydroisoquinoline

2-(cyclopropylmethyl)-3-methylidene-1,4,4a,5-tetrahydroisoquinoline (PubChem CID 134474722) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-3-methylidene-1,4,4a,5-tetrahydroisoquinoline.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-3-methylidene-1,4,4a,5-tetrahydroisoquinoline
PubChem CID134474722
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2-(cyclopropylmethyl)-3-methylidene-1,4,4a,5-tetrahydroisoquinoline
SMILESC=C1CC2CC=CC=C2CN1CC1CC1
InChIInChI=1S/C14H19N/c1-11-8-13-4-2-3-5-14(13)10-15(11)9-12-6-7-12/h2-3,5,12-13H,1,4,6-10H2
InChIKeyHMIOWXLKJPRKCW-UHFFFAOYSA-N
XLogP3.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-3-methylidene-1,4,4a,5-tetrahydroisoquinoline?
The IUPAC name of 2-(cyclopropylmethyl)-3-methylidene-1,4,4a,5-tetrahydroisoquinoline (CID 134474722) is 2-(cyclopropylmethyl)-3-methylidene-1,4,4a,5-tetrahydroisoquinoline.
What is the SMILES notation for 2-(cyclopropylmethyl)-3-methylidene-1,4,4a,5-tetrahydroisoquinoline?
The canonical SMILES for 2-(cyclopropylmethyl)-3-methylidene-1,4,4a,5-tetrahydroisoquinoline is C=C1CC2CC=CC=C2CN1CC1CC1.
What is the InChIKey of 2-(cyclopropylmethyl)-3-methylidene-1,4,4a,5-tetrahydroisoquinoline?
The InChIKey is HMIOWXLKJPRKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-11-8-13-4-2-3-5-14(13)10-15(11)9-12-6-7-12/h2-3,5,12-13H,1,4,6-10H2.
What are the key properties of 2-(cyclopropylmethyl)-3-methylidene-1,4,4a,5-tetrahydroisoquinoline?
2-(cyclopropylmethyl)-3-methylidene-1,4,4a,5-tetrahydroisoquinoline has a molecular weight of 201.31 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-3-methylidene-1,4,4a,5-tetrahydroisoquinoline is sourced from PubChem (CID 134474722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).