N-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine

C17H26N2 — CID 81214502

IUPACN-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESCN(CC1CCCCC1)c1cccc2c1CCNC2
InChIInChI=1S/C17H26N2/c1-19(13-14-6-3-2-4-7-14)17-9-5-8-15-12-18-11-10-16(15)17/h5,8-9,14,18H,2-4,6-7,10-13H2,1H3
InChIKeyXSTYTIMZPVPLGZ-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.35
Rot. Bonds3

About N-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine

N-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine (PubChem CID 81214502) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
PubChem CID81214502
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESCN(CC1CCCCC1)c1cccc2c1CCNC2
InChIInChI=1S/C17H26N2/c1-19(13-14-6-3-2-4-7-14)17-9-5-8-15-12-18-11-10-16(15)17/h5,8-9,14,18H,2-4,6-7,10-13H2,1H3
InChIKeyXSTYTIMZPVPLGZ-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine?
The IUPAC name of N-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine (CID 81214502) is N-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine?
The canonical SMILES for N-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine is CN(CC1CCCCC1)c1cccc2c1CCNC2.
What is the InChIKey of N-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine?
The InChIKey is XSTYTIMZPVPLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-19(13-14-6-3-2-4-7-14)17-9-5-8-15-12-18-11-10-16(15)17/h5,8-9,14,18H,2-4,6-7,10-13H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine?
N-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine has a molecular weight of 258.41 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine is sourced from PubChem (CID 81214502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).