(1E)-1-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanamine

C13H18N2 — CID 142988754

IUPAC(1E)-1-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanamine
SMILESC/C(N)=C1\NC(C)(C)Cc2ccccc21
InChIInChI=1S/C13H18N2/c1-9(14)12-11-7-5-4-6-10(11)8-13(2,3)15-12/h4-7,15H,8,14H2,1-3H3/b12-9+
InChIKeyUQCIWKUVYWAWNK-FMIVXFBMSA-N
MW202.30 g/mol
LogP2.26
Rot. Bonds

About (1E)-1-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanamine

(1E)-1-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanamine (PubChem CID 142988754) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (1E)-1-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanamine.

Molecular Properties

Compound Name(1E)-1-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanamine
PubChem CID142988754
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(1E)-1-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanamine
SMILESC/C(N)=C1\NC(C)(C)Cc2ccccc21
InChIInChI=1S/C13H18N2/c1-9(14)12-11-7-5-4-6-10(11)8-13(2,3)15-12/h4-7,15H,8,14H2,1-3H3/b12-9+
InChIKeyUQCIWKUVYWAWNK-FMIVXFBMSA-N
XLogP2.26
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(Z)-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)methyl] carbamimidothioate
CID 5345742
2,2-dimethyl-1,3-dihydroindole;ethane
CID 90930598
(3Z)-3-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1,1,1-trifluoropropan-2-one
CID 23251449
5-benzhydrylidene-2,2-dimethyl-3,4-dihydro-1H-3-benzazepine
CID 139108031
ethyl (3Z)-3-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-2-oxopropanoate
CID 11065621
methyl 3-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-2-oxopropanoate
CID 5172752
2,2,4,4-tetramethyl-5-methylidene-1,3-dihydro-3-benzazepine
CID 139108027
ethyl (2E)-3-(2,4-dichloroanilino)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-3-oxopropanoate
CID 3100281
1-cyclododecyl-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanone
CID 69212093
methyl 2-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)amino]acetate;hydrochloride
CID 135446741
5-[2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]thiophene-2-carbonitrile
CID 69210000
N-[(3,4-dimethoxyphenyl)methyl]-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide
CID 4084988

Frequently Asked Questions

What is the IUPAC name of (1E)-1-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanamine?
The IUPAC name of (1E)-1-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanamine (CID 142988754) is (1E)-1-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanamine.
What is the SMILES notation for (1E)-1-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanamine?
The canonical SMILES for (1E)-1-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanamine is C/C(N)=C1\NC(C)(C)Cc2ccccc21.
What is the InChIKey of (1E)-1-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanamine?
The InChIKey is UQCIWKUVYWAWNK-FMIVXFBMSA-N. The full InChI is InChI=1S/C13H18N2/c1-9(14)12-11-7-5-4-6-10(11)8-13(2,3)15-12/h4-7,15H,8,14H2,1-3H3/b12-9+.
What are the key properties of (1E)-1-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanamine?
(1E)-1-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanamine has a molecular weight of 202.30 g/mol, XLogP of 2.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanamine is sourced from PubChem (CID 142988754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).