N-(2-aminoethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C13H18N2O — CID 43510302

IUPACN-(2-aminoethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESNCCNC(=O)C1CCCc2ccccc21
InChIInChI=1S/C13H18N2O/c14-8-9-15-13(16)12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,12H,3,5,7-9,14H2,(H,15,16)
InChIKeyASNYEBSCXSIDAC-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.18
Rot. Bonds3

About N-(2-aminoethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-(2-aminoethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 43510302) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID43510302
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(2-aminoethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESNCCNC(=O)C1CCCc2ccccc21
InChIInChI=1S/C13H18N2O/c14-8-9-15-13(16)12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,12H,3,5,7-9,14H2,(H,15,16)
InChIKeyASNYEBSCXSIDAC-UHFFFAOYSA-N
XLogP1.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 43510302) is N-(2-aminoethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is NCCNC(=O)C1CCCc2ccccc21.
What is the InChIKey of N-(2-aminoethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is ASNYEBSCXSIDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-8-9-15-13(16)12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,12H,3,5,7-9,14H2,(H,15,16).
What are the key properties of N-(2-aminoethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-(2-aminoethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 43510302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).