1-(aminomethyl)-N,N-diethyl-2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-amine

C16H27N3 — CID 82584746

IUPAC1-(aminomethyl)-N,N-diethyl-2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-amine
SMILESCCN(CC)C1CN(C)C(CN)c2cc(C)ccc21
InChIInChI=1S/C16H27N3/c1-5-19(6-2)16-11-18(4)15(10-17)14-9-12(3)7-8-13(14)16/h7-9,15-16H,5-6,10-11,17H2,1-4H3
InChIKeyRXKMOCSRYUKIFC-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.32
Rot. Bonds4

About 1-(aminomethyl)-N,N-diethyl-2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-amine

1-(aminomethyl)-N,N-diethyl-2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-amine (PubChem CID 82584746) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N,N-diethyl-2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,N-diethyl-2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-amine
PubChem CID82584746
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-(aminomethyl)-N,N-diethyl-2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-amine
SMILESCCN(CC)C1CN(C)C(CN)c2cc(C)ccc21
InChIInChI=1S/C16H27N3/c1-5-19(6-2)16-11-18(4)15(10-17)14-9-12(3)7-8-13(14)16/h7-9,15-16H,5-6,10-11,17H2,1-4H3
InChIKeyRXKMOCSRYUKIFC-UHFFFAOYSA-N
XLogP2.32
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(aminomethyl)-N,N-diethyl-2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-amine with MolForge

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Related Compounds

[2,7-dimethyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82583894
(2,7-dimethyl-4-piperazin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
CID 82584748
1-(aminomethyl)-7-tert-butyl-N,2-dimethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-4-amine
CID 134126463
1-(aminomethyl)-N,2-dimethyl-N-phenyl-3,4-dihydro-1H-isoquinolin-4-amine
CID 82584740
3-[1-(aminomethyl)-2,6-dimethyl-3,4-dihydro-1H-isoquinolin-4-yl]benzoic acid
CID 82583980
[5-(2-chloro-4-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117349921
[5-(2-bromo-5-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117455094
[6-methyl-2-(2-phenylethyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545777
[2,5-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584768
[7-tert-butyl-4-(3-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584026
[6-methyl-2-(4-pyrrolidin-1-ylbutyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545752
[4-(3-methoxyphenyl)-2,5-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82583930

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,N-diethyl-2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-amine?
The IUPAC name of 1-(aminomethyl)-N,N-diethyl-2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-amine (CID 82584746) is 1-(aminomethyl)-N,N-diethyl-2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-amine.
What is the SMILES notation for 1-(aminomethyl)-N,N-diethyl-2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-amine?
The canonical SMILES for 1-(aminomethyl)-N,N-diethyl-2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-amine is CCN(CC)C1CN(C)C(CN)c2cc(C)ccc21.
What is the InChIKey of 1-(aminomethyl)-N,N-diethyl-2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-amine?
The InChIKey is RXKMOCSRYUKIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-5-19(6-2)16-11-18(4)15(10-17)14-9-12(3)7-8-13(14)16/h7-9,15-16H,5-6,10-11,17H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N,N-diethyl-2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-amine?
1-(aminomethyl)-N,N-diethyl-2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-amine has a molecular weight of 261.41 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,N-diethyl-2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-amine is sourced from PubChem (CID 82584746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).