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

C15H24N2 — CID 114284711

IUPACN-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESCC(C)CC(C)Nc1cccc2c1CCNC2
InChIInChI=1S/C15H24N2/c1-11(2)9-12(3)17-15-6-4-5-13-10-16-8-7-14(13)15/h4-6,11-12,16-17H,7-10H2,1-3H3
InChIKeyVLAMBMBCPHUNED-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.18
Rot. Bonds4

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

N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine (PubChem CID 114284711) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine.

Molecular Properties

Compound NameN-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine
PubChem CID114284711
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESCC(C)CC(C)Nc1cccc2c1CCNC2
InChIInChI=1S/C15H24N2/c1-11(2)9-12(3)17-15-6-4-5-13-10-16-8-7-14(13)15/h4-6,11-12,16-17H,7-10H2,1-3H3
InChIKeyVLAMBMBCPHUNED-UHFFFAOYSA-N
XLogP3.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
The IUPAC name of N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine (CID 114284711) is N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine.
What is the SMILES notation for N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
The canonical SMILES for N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine is CC(C)CC(C)Nc1cccc2c1CCNC2.
What is the InChIKey of N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
The InChIKey is VLAMBMBCPHUNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11(2)9-12(3)17-15-6-4-5-13-10-16-8-7-14(13)15/h4-6,11-12,16-17H,7-10H2,1-3H3.
What are the key properties of N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine has a molecular weight of 232.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine is sourced from PubChem (CID 114284711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).