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

C18H28N2 — CID 79005146

IUPACN-(3-methylbutyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine
SMILESCC(C)CCN(CC1CNCc2ccccc21)C1CC1
InChIInChI=1S/C18H28N2/c1-14(2)9-10-20(17-7-8-17)13-16-12-19-11-15-5-3-4-6-18(15)16/h3-6,14,16-17,19H,7-13H2,1-2H3
InChIKeyVVFHQOJSIICGRX-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.38
Rot. Bonds6

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

N-(3-methylbutyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine (PubChem CID 79005146) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-(3-methylbutyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(3-methylbutyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine
PubChem CID79005146
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-(3-methylbutyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine
SMILESCC(C)CCN(CC1CNCc2ccccc21)C1CC1
InChIInChI=1S/C18H28N2/c1-14(2)9-10-20(17-7-8-17)13-16-12-19-11-15-5-3-4-6-18(15)16/h3-6,14,16-17,19H,7-13H2,1-2H3
InChIKeyVVFHQOJSIICGRX-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine?
The IUPAC name of N-(3-methylbutyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine (CID 79005146) is N-(3-methylbutyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(3-methylbutyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(3-methylbutyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine is CC(C)CCN(CC1CNCc2ccccc21)C1CC1.
What is the InChIKey of N-(3-methylbutyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine?
The InChIKey is VVFHQOJSIICGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14(2)9-10-20(17-7-8-17)13-16-12-19-11-15-5-3-4-6-18(15)16/h3-6,14,16-17,19H,7-13H2,1-2H3.
What are the key properties of N-(3-methylbutyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine?
N-(3-methylbutyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine has a molecular weight of 272.44 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine is sourced from PubChem (CID 79005146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).