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

C18H28N2O — CID 63754765

IUPACN-(2-aminoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCCC(CC)N(CCN)C(=O)C1CCCc2ccccc21
InChIInChI=1S/C18H28N2O/c1-3-15(4-2)20(13-12-19)18(21)17-11-7-9-14-8-5-6-10-16(14)17/h5-6,8,10,15,17H,3-4,7,9,11-13,19H2,1-2H3
InChIKeyBCEMTZZIJMUXRG-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.08
Rot. Bonds6

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

N-(2-aminoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 63754765) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID63754765
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-(2-aminoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCCC(CC)N(CCN)C(=O)C1CCCc2ccccc21
InChIInChI=1S/C18H28N2O/c1-3-15(4-2)20(13-12-19)18(21)17-11-7-9-14-8-5-6-10-16(14)17/h5-6,8,10,15,17H,3-4,7,9,11-13,19H2,1-2H3
InChIKeyBCEMTZZIJMUXRG-UHFFFAOYSA-N
XLogP3.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride
CID 119584567
N,N-bis(2-hydroxyethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 61233966
N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 77044925
N-(1-aminopentan-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62718722
N-(1-aminobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 63755728
2-amino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
CID 71326492
N-(1-cyanoethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55090369
N-(2-amino-2-sulfanylideneethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62719083
N-(2-bromoethyl)-N-cyclobutyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 102873281
N-piperidin-4-yl-N-propyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride
CID 119825779
N-methyl-N-piperidin-4-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 43602044
N-(4-aminophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62719075

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 63754765) is N-(2-aminoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CCC(CC)N(CCN)C(=O)C1CCCc2ccccc21.
What is the InChIKey of N-(2-aminoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is BCEMTZZIJMUXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-15(4-2)20(13-12-19)18(21)17-11-7-9-14-8-5-6-10-16(14)17/h5-6,8,10,15,17H,3-4,7,9,11-13,19H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-(2-aminoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 288.43 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 63754765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).