N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(dimethylamino)propanamide

C15H23N3O — CID 116649806

IUPACN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(dimethylamino)propanamide
SMILESCN(C)CCC(=O)NC1CCCc2cc(N)ccc21
InChIInChI=1S/C15H23N3O/c1-18(2)9-8-15(19)17-14-5-3-4-11-10-12(16)6-7-13(11)14/h6-7,10,14H,3-5,8-9,16H2,1-2H3,(H,17,19)
InChIKeyFEAYQEGRMGKSPP-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.71
Rot. Bonds4

About N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(dimethylamino)propanamide

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(dimethylamino)propanamide (PubChem CID 116649806) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(dimethylamino)propanamide.

Molecular Properties

Compound NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(dimethylamino)propanamide
PubChem CID116649806
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(dimethylamino)propanamide
SMILESCN(C)CCC(=O)NC1CCCc2cc(N)ccc21
InChIInChI=1S/C15H23N3O/c1-18(2)9-8-15(19)17-14-5-3-4-11-10-12(16)6-7-13(11)14/h6-7,10,14H,3-5,8-9,16H2,1-2H3,(H,17,19)
InChIKeyFEAYQEGRMGKSPP-UHFFFAOYSA-N
XLogP1.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,1-dimethylurea
CID 116650161
2-[1-(aminomethyl)cyclohexyl]-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 122081100
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-pyridin-3-ylacetamide
CID 116649861
(Z)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpent-2-enamide
CID 116649737
4-(aminomethyl)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 122081059
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)oxane-4-carboxamide
CID 116649753
2-(3-aminophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 62499039
3-[methyl(2-methylsulfanylethyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 71855495
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-bromo-4-methylthiophene-2-carboxamide
CID 116649864
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3,3,3-trifluoropropanamide
CID 79740816
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-propan-2-yloxyacetamide
CID 112603522
methyl 2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]acetate
CID 116650191

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(dimethylamino)propanamide?
The IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(dimethylamino)propanamide (CID 116649806) is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(dimethylamino)propanamide.
What is the SMILES notation for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(dimethylamino)propanamide?
The canonical SMILES for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(dimethylamino)propanamide is CN(C)CCC(=O)NC1CCCc2cc(N)ccc21.
What is the InChIKey of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(dimethylamino)propanamide?
The InChIKey is FEAYQEGRMGKSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(2)9-8-15(19)17-14-5-3-4-11-10-12(16)6-7-13(11)14/h6-7,10,14H,3-5,8-9,16H2,1-2H3,(H,17,19).
What are the key properties of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(dimethylamino)propanamide?
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(dimethylamino)propanamide has a molecular weight of 261.37 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(dimethylamino)propanamide is sourced from PubChem (CID 116649806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).