N,N-dimethyl-1-(1-propan-2-ylisoquinolin-5-yl)methanamine;N,N-dimethyl-1-(1-propan-2-ylisoquinolin-6-yl)methanamine

C30H40N4 — CID 177030485

IUPACN,N-dimethyl-1-(1-propan-2-ylisoquinolin-5-yl)methanamine;N,N-dimethyl-1-(1-propan-2-ylisoquinolin-6-yl)methanamine
SMILESCC(C)c1nccc2c(CN(C)C)cccc12.CC(C)c1nccc2cc(CN(C)C)ccc12
InChIInChI=1S/2C15H20N2/c1-11(2)15-14-6-5-12(10-17(3)4)9-13(14)7-8-16-15;1-11(2)15-14-7-5-6-12(10-17(3)4)13(14)8-9-16-15/h2*5-9,11H,10H2,1-4H3
InChIKeyBZJSOOUWUYUMQA-UHFFFAOYSA-N
MW456.68 g/mol
LogP6.84
Rot. Bonds6

About N,N-dimethyl-1-(1-propan-2-ylisoquinolin-5-yl)methanamine;N,N-dimethyl-1-(1-propan-2-ylisoquinolin-6-yl)methanamine

N,N-dimethyl-1-(1-propan-2-ylisoquinolin-5-yl)methanamine;N,N-dimethyl-1-(1-propan-2-ylisoquinolin-6-yl)methanamine (PubChem CID 177030485) has the molecular formula C30H40N4 and a molecular weight of 456.68 g/mol. Its IUPAC name is N,N-dimethyl-1-(1-propan-2-ylisoquinolin-5-yl)methanamine;N,N-dimethyl-1-(1-propan-2-ylisoquinolin-6-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(1-propan-2-ylisoquinolin-5-yl)methanamine;N,N-dimethyl-1-(1-propan-2-ylisoquinolin-6-yl)methanamine
PubChem CID177030485
Molecular FormulaC30H40N4
Molecular Weight456.68 g/mol
Exact Mass456.33
IUPAC NameN,N-dimethyl-1-(1-propan-2-ylisoquinolin-5-yl)methanamine;N,N-dimethyl-1-(1-propan-2-ylisoquinolin-6-yl)methanamine
SMILESCC(C)c1nccc2c(CN(C)C)cccc12.CC(C)c1nccc2cc(CN(C)C)ccc12
InChIInChI=1S/2C15H20N2/c1-11(2)15-14-6-5-12(10-17(3)4)9-13(14)7-8-16-15;1-11(2)15-14-7-5-6-12(10-17(3)4)13(14)8-9-16-15/h2*5-9,11H,10H2,1-4H3
InChIKeyBZJSOOUWUYUMQA-UHFFFAOYSA-N
XLogP6.84
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.68
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(1-propan-2-ylisoquinolin-5-yl)methanamine;N,N-dimethyl-1-(1-propan-2-ylisoquinolin-6-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(1-propan-2-ylisoquinolin-5-yl)methanamine;N,N-dimethyl-1-(1-propan-2-ylisoquinolin-6-yl)methanamine (CID 177030485) is N,N-dimethyl-1-(1-propan-2-ylisoquinolin-5-yl)methanamine;N,N-dimethyl-1-(1-propan-2-ylisoquinolin-6-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(1-propan-2-ylisoquinolin-5-yl)methanamine;N,N-dimethyl-1-(1-propan-2-ylisoquinolin-6-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(1-propan-2-ylisoquinolin-5-yl)methanamine;N,N-dimethyl-1-(1-propan-2-ylisoquinolin-6-yl)methanamine is CC(C)c1nccc2c(CN(C)C)cccc12.CC(C)c1nccc2cc(CN(C)C)ccc12.
What is the InChIKey of N,N-dimethyl-1-(1-propan-2-ylisoquinolin-5-yl)methanamine;N,N-dimethyl-1-(1-propan-2-ylisoquinolin-6-yl)methanamine?
The InChIKey is BZJSOOUWUYUMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H20N2/c1-11(2)15-14-6-5-12(10-17(3)4)9-13(14)7-8-16-15;1-11(2)15-14-7-5-6-12(10-17(3)4)13(14)8-9-16-15/h2*5-9,11H,10H2,1-4H3.
What are the key properties of N,N-dimethyl-1-(1-propan-2-ylisoquinolin-5-yl)methanamine;N,N-dimethyl-1-(1-propan-2-ylisoquinolin-6-yl)methanamine?
N,N-dimethyl-1-(1-propan-2-ylisoquinolin-5-yl)methanamine;N,N-dimethyl-1-(1-propan-2-ylisoquinolin-6-yl)methanamine has a molecular weight of 456.68 g/mol, XLogP of 6.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1-propan-2-ylisoquinolin-5-yl)methanamine;N,N-dimethyl-1-(1-propan-2-ylisoquinolin-6-yl)methanamine is sourced from PubChem (CID 177030485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).