N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine

C13H18N2 — CID 65262510

IUPACN-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine
SMILESc1ccc2c(c1)CNCC2CNC1CC1
InChIInChI=1S/C13H18N2/c1-2-4-13-10(3-1)7-14-8-11(13)9-15-12-5-6-12/h1-4,11-12,14-15H,5-9H2
InChIKeyFGHBKSGLQKZMAR-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.63
Rot. Bonds3

About N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine

N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine (PubChem CID 65262510) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine
PubChem CID65262510
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine
SMILESc1ccc2c(c1)CNCC2CNC1CC1
InChIInChI=1S/C13H18N2/c1-2-4-13-10(3-1)7-14-8-11(13)9-15-12-5-6-12/h1-4,11-12,14-15H,5-9H2
InChIKeyFGHBKSGLQKZMAR-UHFFFAOYSA-N
XLogP1.63
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-1-amine
CID 65262511
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-2-amine
CID 65262461
2,3,3-trimethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)butan-1-amine
CID 83144626
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclopentanamine
CID 60815828
1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)methanamine
CID 65262470
N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine
CID 64989430
1-(1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 65262140
3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propan-1-ol
CID 115105105
4-(methylsulfonylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104290
4-(phenoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104294
methyl 2-(1,2,3,4-tetrahydroisoquinolin-4-yl)acetate
CID 91844783
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 60815385

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine?
The IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine (CID 65262510) is N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine is c1ccc2c(c1)CNCC2CNC1CC1.
What is the InChIKey of N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine?
The InChIKey is FGHBKSGLQKZMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-4-13-10(3-1)7-14-8-11(13)9-15-12-5-6-12/h1-4,11-12,14-15H,5-9H2.
What are the key properties of N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine?
N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine has a molecular weight of 202.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine is sourced from PubChem (CID 65262510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).