1-methylidene-2-pentan-2-ylisoquinoline

C15H19N — CID 166943065

IUPAC1-methylidene-2-pentan-2-ylisoquinoline
SMILESC=C1c2ccccc2C=CN1C(C)CCC
InChIInChI=1S/C15H19N/c1-4-7-12(2)16-11-10-14-8-5-6-9-15(14)13(16)3/h5-6,8-12H,3-4,7H2,1-2H3
InChIKeyFJEBFJJVBCMFJI-UHFFFAOYSA-N
MW213.32 g/mol
LogP4.13
Rot. Bonds3

About 1-methylidene-2-pentan-2-ylisoquinoline

1-methylidene-2-pentan-2-ylisoquinoline (PubChem CID 166943065) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-methylidene-2-pentan-2-ylisoquinoline.

Molecular Properties

Compound Name1-methylidene-2-pentan-2-ylisoquinoline
PubChem CID166943065
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name1-methylidene-2-pentan-2-ylisoquinoline
SMILESC=C1c2ccccc2C=CN1C(C)CCC
InChIInChI=1S/C15H19N/c1-4-7-12(2)16-11-10-14-8-5-6-9-15(14)13(16)3/h5-6,8-12H,3-4,7H2,1-2H3
InChIKeyFJEBFJJVBCMFJI-UHFFFAOYSA-N
XLogP4.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2R)-pentan-2-yl]isoindole-1,3-dione
CID 10512957
(10Z,13Z)-12-methyl-2,3-dimethylidene-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,10,13,15,17-octaene
CID 145387131
7-methyl-3-methylidene-2-pentan-2-yl-1H-indazole
CID 142106161
2-(1-aminopentan-2-yl)-3-methylideneisoindol-1-one
CID 65192144
3,3-dimethyl-1-pentan-2-yl-4H-1,4-benzodiazepine-2,5-dione
CID 107888990
5-methylbenzo[d][1]benzazepine
CID 67174397
2-(2-oxoheptan-4-yl)isoindole-1,3-dione
CID 11196218
2-(1,3-dioxoisoindol-2-yl)pentanal
CID 171511019
(5E)-3-ethyl-5-(2-ethylisoquinolin-1-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6296867
1-butyl-4-inden-1-ylidenepyridine
CID 91539953
4-amino-2-pentan-2-ylisoindole-1,3-dione
CID 22492374
N'-pentan-2-yl-N'-phenylpropane-1,3-diamine
CID 107895596

Frequently Asked Questions

What is the IUPAC name of 1-methylidene-2-pentan-2-ylisoquinoline?
The IUPAC name of 1-methylidene-2-pentan-2-ylisoquinoline (CID 166943065) is 1-methylidene-2-pentan-2-ylisoquinoline.
What is the SMILES notation for 1-methylidene-2-pentan-2-ylisoquinoline?
The canonical SMILES for 1-methylidene-2-pentan-2-ylisoquinoline is C=C1c2ccccc2C=CN1C(C)CCC.
What is the InChIKey of 1-methylidene-2-pentan-2-ylisoquinoline?
The InChIKey is FJEBFJJVBCMFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-4-7-12(2)16-11-10-14-8-5-6-9-15(14)13(16)3/h5-6,8-12H,3-4,7H2,1-2H3.
What are the key properties of 1-methylidene-2-pentan-2-ylisoquinoline?
1-methylidene-2-pentan-2-ylisoquinoline has a molecular weight of 213.32 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-2-pentan-2-ylisoquinoline is sourced from PubChem (CID 166943065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).