N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-amine

C15H24N2 — CID 115105041

IUPACN-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-amine
SMILESCC(C)NCCCc1cccc2c1CCNC2
InChIInChI=1S/C15H24N2/c1-12(2)17-9-4-7-13-5-3-6-14-11-16-10-8-15(13)14/h3,5-6,12,16-17H,4,7-11H2,1-2H3
InChIKeyNBGASLAWZOXNIW-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.26
Rot. Bonds5

About N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-amine

N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-amine (PubChem CID 115105041) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-amine
PubChem CID115105041
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-amine
SMILESCC(C)NCCCc1cccc2c1CCNC2
InChIInChI=1S/C15H24N2/c1-12(2)17-9-4-7-13-5-3-6-14-11-16-10-8-15(13)14/h3,5-6,12,16-17H,4,7-11H2,1-2H3
InChIKeyNBGASLAWZOXNIW-UHFFFAOYSA-N
XLogP2.26
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-2-amine
CID 104557343
3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-ol
CID 105445306
5-nonyl-1,2,3,4-tetrahydroisoquinoline
CID 106778358
N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 115104862
5-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104234
5-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline;N-methylmethanamine
CID 143839474
5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106778084
6-butyl-2,3,4,5-tetrahydro-1H-3-benzazepine;ethane
CID 142198128
3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide
CID 115105046
N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 104557449
5-(ethoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 54421275
2-(furan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine
CID 104557410

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-amine?
The IUPAC name of N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-amine (CID 115105041) is N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-amine.
What is the SMILES notation for N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-amine?
The canonical SMILES for N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-amine is CC(C)NCCCc1cccc2c1CCNC2.
What is the InChIKey of N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-amine?
The InChIKey is NBGASLAWZOXNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12(2)17-9-4-7-13-5-3-6-14-11-16-10-8-15(13)14/h3,5-6,12,16-17H,4,7-11H2,1-2H3.
What are the key properties of N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-amine?
N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-amine is sourced from PubChem (CID 115105041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).