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

C17H26N2 — CID 65262181

IUPACN-(2-methylpropyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine
SMILESCC(C)CN(CC1CNCc2ccccc21)C1CC1
InChIInChI=1S/C17H26N2/c1-13(2)11-19(16-7-8-16)12-15-10-18-9-14-5-3-4-6-17(14)15/h3-6,13,15-16,18H,7-12H2,1-2H3
InChIKeyKHNXLUDWHFSYFO-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.99
Rot. Bonds5

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

N-(2-methylpropyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine (PubChem CID 65262181) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine
PubChem CID65262181
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-(2-methylpropyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine
SMILESCC(C)CN(CC1CNCc2ccccc21)C1CC1
InChIInChI=1S/C17H26N2/c1-13(2)11-19(16-7-8-16)12-15-10-18-9-14-5-3-4-6-17(14)15/h3-6,13,15-16,18H,7-12H2,1-2H3
InChIKeyKHNXLUDWHFSYFO-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylbutyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine
CID 79005146
N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclohexanamine
CID 65262124
N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine
CID 64989430
N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-1-amine
CID 65262509
N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 63939368
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-1-amine
CID 65262511
N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 63939949
N-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-1-amine
CID 65262416
N-methyl-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)ethanamine
CID 65486181
4-(propan-2-ylsulfonylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104292
N-methyl-1-(oxolan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)methanamine
CID 65262274
4-(3-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 104505044

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine?
The IUPAC name of N-(2-methylpropyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine (CID 65262181) is N-(2-methylpropyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(2-methylpropyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(2-methylpropyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine is CC(C)CN(CC1CNCc2ccccc21)C1CC1.
What is the InChIKey of N-(2-methylpropyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine?
The InChIKey is KHNXLUDWHFSYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13(2)11-19(16-7-8-16)12-15-10-18-9-14-5-3-4-6-17(14)15/h3-6,13,15-16,18H,7-12H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine?
N-(2-methylpropyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine has a molecular weight of 258.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine is sourced from PubChem (CID 65262181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).