1-N-methyl-1-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)propane-1,2-diamine

C14H23N3 — CID 136555636

IUPAC1-N-methyl-1-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)propane-1,2-diamine
SMILESCC(N)CN(C)Cc1ccc2c(c1)CNCC2
InChIInChI=1S/C14H23N3/c1-11(15)9-17(2)10-12-3-4-13-5-6-16-8-14(13)7-12/h3-4,7,11,16H,5-6,8-10,15H2,1-2H3
InChIKeyFHFQMLWSOHAKPT-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.11
Rot. Bonds4

About 1-N-methyl-1-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)propane-1,2-diamine

1-N-methyl-1-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)propane-1,2-diamine (PubChem CID 136555636) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-N-methyl-1-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)propane-1,2-diamine
PubChem CID136555636
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-N-methyl-1-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)propane-1,2-diamine
SMILESCC(N)CN(C)Cc1ccc2c(c1)CNCC2
InChIInChI=1S/C14H23N3/c1-11(15)9-17(2)10-12-3-4-13-5-6-16-8-14(13)7-12/h3-4,7,11,16H,5-6,8-10,15H2,1-2H3
InChIKeyFHFQMLWSOHAKPT-UHFFFAOYSA-N
XLogP1.11
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine
CID 143985819
N-methyl-1-methylsulfanyl-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)butan-2-amine
CID 112660977
7-(propan-2-ylsulfonylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104140
2-amino-3-[2,3-dihydro-1H-inden-5-ylmethyl(methyl)amino]propan-1-ol
CID 115120672
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylprop-2-en-1-amine
CID 103998409
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N,2-dimethylbutane-1,4-diamine
CID 115202649
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methyl-1-phenylmethanamine
CID 103997964
8-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride
CID 75366017
1-N-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 43564094
6-[[2-aminopropyl(methyl)amino]methyl]-3H-1,3-benzoxazol-2-one
CID 115196705
1-(2,3-dihydro-1H-isoindol-5-yl)-N-methoxy-N-methylmethanamine
CID 114396701
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylcyclopropanamine
CID 103998027

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)propane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)propane-1,2-diamine (CID 136555636) is 1-N-methyl-1-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)propane-1,2-diamine is CC(N)CN(C)Cc1ccc2c(c1)CNCC2.
What is the InChIKey of 1-N-methyl-1-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)propane-1,2-diamine?
The InChIKey is FHFQMLWSOHAKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11(15)9-17(2)10-12-3-4-13-5-6-16-8-14(13)7-12/h3-4,7,11,16H,5-6,8-10,15H2,1-2H3.
What are the key properties of 1-N-methyl-1-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)propane-1,2-diamine?
1-N-methyl-1-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)propane-1,2-diamine has a molecular weight of 233.36 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 136555636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).