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

C17H26N2 — CID 65262416

IUPACN-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-1-amine
SMILESCCCN(CC1CC1)CC1CNCc2ccccc21
InChIInChI=1S/C17H26N2/c1-2-9-19(12-14-7-8-14)13-16-11-18-10-15-5-3-4-6-17(15)16/h3-6,14,16,18H,2,7-13H2,1H3
InChIKeyKZJMVUQQLRHZAF-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.00
Rot. Bonds6

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

N-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-1-amine (PubChem CID 65262416) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-1-amine
PubChem CID65262416
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-1-amine
SMILESCCCN(CC1CC1)CC1CNCc2ccccc21
InChIInChI=1S/C17H26N2/c1-2-9-19(12-14-7-8-14)13-16-11-18-10-15-5-3-4-6-17(15)16/h3-6,14,16,18H,2,7-13H2,1H3
InChIKeyKZJMVUQQLRHZAF-UHFFFAOYSA-N
XLogP3.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-1-amine (CID 65262416) is N-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-1-amine is CCCN(CC1CC1)CC1CNCc2ccccc21.
What is the InChIKey of N-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-1-amine?
The InChIKey is KZJMVUQQLRHZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-9-19(12-14-7-8-14)13-16-11-18-10-15-5-3-4-6-17(15)16/h3-6,14,16,18H,2,7-13H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-1-amine?
N-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 65262416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).