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

C13H20N2 — CID 104557343

IUPACN-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-2-amine
SMILESCC(C)NCc1cccc2c1CCNC2
InChIInChI=1S/C13H20N2/c1-10(2)15-9-12-5-3-4-11-8-14-7-6-13(11)12/h3-5,10,14-15H,6-9H2,1-2H3
InChIKeyCTDTXCJWKVFNCT-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.83
Rot. Bonds3

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

N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-2-amine (PubChem CID 104557343) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-2-amine
PubChem CID104557343
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-2-amine
SMILESCC(C)NCc1cccc2c1CCNC2
InChIInChI=1S/C13H20N2/c1-10(2)15-9-12-5-3-4-11-8-14-7-6-13(11)12/h3-5,10,14-15H,6-9H2,1-2H3
InChIKeyCTDTXCJWKVFNCT-UHFFFAOYSA-N
XLogP1.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-amine
CID 115105041
N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)propan-2-amine
CID 59487265
N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 115104862
2,2-difluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine
CID 104557620
5-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104234
5-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline;N-methylmethanamine
CID 143839474
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine
CID 80648504
N-(2-methylpropyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclopentanamine
CID 104557605
3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-ol
CID 105445306
2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclopentan-1-amine
CID 104557485
5-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 20825799
N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 104557449

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-2-amine?
The IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-2-amine (CID 104557343) is N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-2-amine?
The canonical SMILES for N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-2-amine is CC(C)NCc1cccc2c1CCNC2.
What is the InChIKey of N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-2-amine?
The InChIKey is CTDTXCJWKVFNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10(2)15-9-12-5-3-4-11-8-14-7-6-13(11)12/h3-5,10,14-15H,6-9H2,1-2H3.
What are the key properties of N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-2-amine?
N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)propan-2-amine has a molecular weight of 204.32 g/mol, XLogP of 1.83, 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-5-ylmethyl)propan-2-amine is sourced from PubChem (CID 104557343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).