(Z)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpent-2-enamide

C16H22N2O — CID 116649737

IUPAC(Z)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NC1CCCc2cc(N)ccc21
InChIInChI=1S/C16H22N2O/c1-3-5-11(2)16(19)18-15-7-4-6-12-10-13(17)8-9-14(12)15/h5,8-10,15H,3-4,6-7,17H2,1-2H3,(H,18,19)/b11-5-
InChIKeySTUAQFCNWFSKSE-WZUFQYTHSA-N
MW258.37 g/mol
LogP3.12
Rot. Bonds3

About (Z)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpent-2-enamide

(Z)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpent-2-enamide (PubChem CID 116649737) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is (Z)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpent-2-enamide
PubChem CID116649737
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name(Z)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NC1CCCc2cc(N)ccc21
InChIInChI=1S/C16H22N2O/c1-3-5-11(2)16(19)18-15-7-4-6-12-10-13(17)8-9-14(12)15/h5,8-10,15H,3-4,6-7,17H2,1-2H3,(H,18,19)/b11-5-
InChIKeySTUAQFCNWFSKSE-WZUFQYTHSA-N
XLogP3.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,1-dimethylurea
CID 116650161
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(dimethylamino)propanamide
CID 116649806
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-bromo-4-methylthiophene-2-carboxamide
CID 116649864
methyl 2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]acetate
CID 116650191
4-(aminomethyl)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 122081059
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
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-bromopyridine-3-carboxamide
CID 116649702
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 116649717
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)oxane-4-carboxamide
CID 116649753
1-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 116650654
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dimethylthiophene-2-carboxamide
CID 116649780

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpent-2-enamide?
The IUPAC name of (Z)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpent-2-enamide (CID 116649737) is (Z)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpent-2-enamide.
What is the SMILES notation for (Z)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpent-2-enamide?
The canonical SMILES for (Z)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpent-2-enamide is CC/C=C(/C)C(=O)NC1CCCc2cc(N)ccc21.
What is the InChIKey of (Z)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpent-2-enamide?
The InChIKey is STUAQFCNWFSKSE-WZUFQYTHSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-5-11(2)16(19)18-15-7-4-6-12-10-13(17)8-9-14(12)15/h5,8-10,15H,3-4,6-7,17H2,1-2H3,(H,18,19)/b11-5-.
What are the key properties of (Z)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpent-2-enamide?
(Z)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpent-2-enamide has a molecular weight of 258.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpent-2-enamide is sourced from PubChem (CID 116649737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).