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

C16H24N2O — CID 107126000

IUPACN-(2-aminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCC(C)N(CCN)C(=O)C1CCc2ccccc2C1
InChIInChI=1S/C16H24N2O/c1-12(2)18(10-9-17)16(19)15-8-7-13-5-3-4-6-14(13)11-15/h3-6,12,15H,7-11,17H2,1-2H3
InChIKeyLACCERFOXUIFCJ-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.99
Rot. Bonds4

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

N-(2-aminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 107126000) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID107126000
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(2-aminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCC(C)N(CCN)C(=O)C1CCc2ccccc2C1
InChIInChI=1S/C16H24N2O/c1-12(2)18(10-9-17)16(19)15-8-7-13-5-3-4-6-14(13)11-15/h3-6,12,15H,7-11,17H2,1-2H3
InChIKeyLACCERFOXUIFCJ-UHFFFAOYSA-N
XLogP1.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107493235
N-(2-bromoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127696
N-(3-chloropropyl)-N-propan-2-yl-2,3-dihydro-1H-indene-2-carboxamide
CID 106894177
N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126715
N-(2-aminoethyl)-N-propan-2-ylcyclohexanecarboxamide
CID 28707843
N-(1-amino-2,3-dimethylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127299
N-(5-aminopentan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127829
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127553
N-(2-bromoethyl)-N-cyclobutyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127798
N-(2-aminoethyl)-N-propan-2-yloxolane-3-carboxamide
CID 61350101
N-[(3-chlorocyclobutyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127677
1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
CID 67808987

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 107126000) is N-(2-aminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide is CC(C)N(CCN)C(=O)C1CCc2ccccc2C1.
What is the InChIKey of N-(2-aminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is LACCERFOXUIFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)18(10-9-17)16(19)15-8-7-13-5-3-4-6-14(13)11-15/h3-6,12,15H,7-11,17H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-(2-aminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 107126000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).