1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butan-2-amine

C19H28N4O — CID 75524597

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butan-2-amine
SMILESCc1nnc(CNC(CN2CCc3ccccc3C2)C(C)(C)C)o1
InChIInChI=1S/C19H28N4O/c1-14-21-22-18(24-14)11-20-17(19(2,3)4)13-23-10-9-15-7-5-6-8-16(15)12-23/h5-8,17,20H,9-13H2,1-4H3
InChIKeyOWGLZJXZFHRFCN-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.94
Rot. Bonds5

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butan-2-amine

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butan-2-amine (PubChem CID 75524597) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butan-2-amine
PubChem CID75524597
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butan-2-amine
SMILESCc1nnc(CNC(CN2CCc3ccccc3C2)C(C)(C)C)o1
InChIInChI=1S/C19H28N4O/c1-14-21-22-18(24-14)11-20-17(19(2,3)4)13-23-10-9-15-7-5-6-8-16(15)12-23/h5-8,17,20H,9-13H2,1-4H3
InChIKeyOWGLZJXZFHRFCN-UHFFFAOYSA-N
XLogP2.94
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-ethyl-3,3-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-2-amine
CID 63154774
N-[2-[[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 78886795
1-(1,3-dihydroisoindol-2-yl)-N,3,3-trimethylbutan-2-amine
CID 62204648
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propan-2-amine
CID 95228083
2-[[1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethylbutan-2-yl]amino]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133349797
N-ethyl-4,4-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-3-amine
CID 63153082
1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethylbutan-2-yl]urea
CID 51961727
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 39238520
2,5-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-1-amine
CID 107914715
2-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methyl-1,3,4-oxadiazole
CID 75519706
ethane;N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 143900206
N-[3-[[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethylbutan-2-yl]carbamoylamino]-4-methylphenyl]propanamide
CID 95772546

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butan-2-amine?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butan-2-amine (CID 75524597) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butan-2-amine.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butan-2-amine?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butan-2-amine is Cc1nnc(CNC(CN2CCc3ccccc3C2)C(C)(C)C)o1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butan-2-amine?
The InChIKey is OWGLZJXZFHRFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-14-21-22-18(24-14)11-20-17(19(2,3)4)13-23-10-9-15-7-5-6-8-16(15)12-23/h5-8,17,20H,9-13H2,1-4H3.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butan-2-amine?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butan-2-amine has a molecular weight of 328.46 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]butan-2-amine is sourced from PubChem (CID 75524597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).